SIMSCI Component Data Input Manual PDF

Component and Thermodynamic
Data Input Manual

Volume I:
Component Data
PRO/II 5.5 Edition
Component and Thermodynamic

Data Input Manual
The software described in this guide is furnished under a license

agreement and may be used only in accordance with the terms of
that agreement. Information in this document is subject to
change without notice. Simulation Sciences, Inc. assumes no
liability for any damage to any hardware or software component
or any loss of data that may occur as a result of the use of the
information contained in this manual.
Copyright Notice
Copyright 2001 Simulation Sciences, Inc. All rights reserved.

No part of this publication may be copied and/or distributed
without the express written permission of Simulation Sciences,
Inc., 601 Valencia Ave., Brea, CA 92823-6346.
Trademarks
PRO/I, PIPEPHASE, NETOPT, and SIMSCI are registered marks

of Simulation Sciences, Inc.
Printed in the United States of America, September 2001.
Contents
Chapter 1
Component Data Overview
General Information. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-1-1
Input Description . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-1-6
Category Heading Statement. . . . . . . . . . . . . . . . . . . . . . . . I-1-6
Notes Statement . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-1-7
Remaining COMPONENT Data Category Statements. . . . I-1-8
Chapter 2
Component Definition
General Information. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-2-1
Component Definition . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-2-2
Allowable Phases . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-2-4
Examples . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-2-5
Chapter 3
Common Components
Pure Component Library - Most Common Components. . . . . . I-3-1
Chapter 4
Pure Component Library Sorted Alphabetically
Master List Sorted Alphabetically . . . . . . . . . . . . . . . . . . . . I-4-1
Chapter 5
Pure Component Library Sorted by Formula
Master List - Sorted by Formula . . . . . . . . . . . . . . . . . . . . . . . . I-5-1
Component Data Input Manual
I-iii
Chapter 6
Petroleum Component Properties
General Information . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-6-1
Petroleum Component Characterizations . . . . . . . . . . . . . I-6-1
Component Definition for Synfuel Components . . . . . . . . I-6-5
Chapter 7
Solid Component Properties
Solid Attributes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-7-2
Pure Component Properties . . . . . . . . . . . . . . . . . . . . . . . . . . . I-7-2
Examples . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-7-3
Chapter 8
Component Properties
Data Requirements . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-8-1
Hierarchy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-8-4
Pure Component Properties . . . . . . . . . . . . . . . . . . . . . . . . I-8-4
Examples . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-8-21
Chapter 9
UNIFAC Structural Groups
Component Structural Data for UNIFAC . . . . . . . . . . . . . I-9-1
Examples . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I-9-2
Index
I-iv
Contents
Chapter 1
General Information
The Component Data Category is required for PRO/II. In
PIPEPHASE, this category is required for the simulation of
compositional fluids in PIPEPHASE, but should not be included
when simulating non-compositional fluids.
The Component Data Category defines the pure components and
pseudocomponents in the problem and, if necessary, defines or
modifies component properties. All components encountered in a
problem, except for assay stream components, must be defined in
this Category. Streams defined by distillation assay curves in the
Stream Data Category are broken into pseudocomponents based on
the rules defined in the Component Data Category.
I-1-1
Table 1-1: Component Data Category of Input

Statement
Keyword
For details
see
Category Heading Statement, Required

COMPONENT DATA
Chapter 1
None
Notes Statement, Optional

NOTES
TEXT = notes line (up to 256 characters)
Chapter 1
Component Definition, Conditional

LIBID
i, library name, library number, alias/...,

{BANK=PROCESS, SIMSCI, DIPPR,
bankid...} {FILL=SIMSCI}
NONLIBRARY
i, name/..., {FILL=SIMSCI}
PETROLEUM
(densunit, tunit)
i, name, MW, std liq density, NBP/ ...
PHASE
DEFAULT=VL or LS or S or VLS,
{VL=i, j, ..., LS=i,j,..., S=i,j,..., VLS=i,j,...}
Chapter 2
Petroleum Component Characterizations, Optional

ASSAY
FIT=SPLINE or QUADRATIC or
PDF (NONE, IP, EP, BOTH),
CHARACTERIZE= SIMSCI or LK,
MW= SIMSCI or EXTAPI or CAVETT,
CONVERSION= API87 or API63, or
EDOK, GRAVITY= WATSONK or
PRE301,
{TBPIP= 1, TBPEP= 98}, {NBP=LV or
MID}
CUTPOINTS
TBPCUTS=to,t1, ncuts {/t2,ncuts/...},

{CUTSET=SIMSCI}, {BLEND=name},
{DEFAULT}
Chapter 6
Definition for Synfuel Components, Optional

SYNCOMP
COMP#, {NAME, MW, DENS}, NBP,

{TYPE, ZNUM, CNUM}
Chapter 6
SYNLIQ
(W or V or M)
COMP#, NAME, MW, DENS, NBP,

P, O, N, A
Chapter 6
{ } = Optional entries; ( ) = Keyword qualifiers; Values given are defaults; Underlined keywords are defaults.
Solid Attributes, Optional

ATTR
I-1-2
COMP=i, {PSD=s0, s1,...,}

GENERAL=10, {GNAME=text1,text2,...}
Chapter 7

Statement
Keyword
For details
see
Component Properties, Optional

Component invariant properties and constants
MW
SPGR
API
NBP(unit)
ACENTRIC
VC(unit, M or WT)
TC(unit)
PC(unit)
RACKETT
CNUM
ZNUM
DIPOLE(unit)
RADIUS(unit)
SOLUPARA
MOLVOL(unit)
STDDENSITY(unit)
HCOMBUST(unit, M or WT)
HVAPORIZE(unit, M or WT)
HFUSION(unit, M or WT)
NMP(unit)
PTP(unit)
TTP(unit)
GHV(unit, M or WT)
LHV(unit, M or WT)
SVTB
SLTM
HVTB
HLTB
HLTM
PARACHOR
PENELOUX(volunit)
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
i, value/...
Chapter 8
I-1-3

Statement
Keyword
For details
see
Component invariant special properties

<property>
(qualifier)
{GAMMA=value, REFINDEX=value,
REVALUE(unit)=value}
DATA(unit)
INDEX
i, datvalue/...,
i, indvalue/...
Table 8-4
User-defined special refinery properties

SPROP(i)
{GAMMA=1.0, REFINDEX=value,
REFVALUE=value, NAME=text}
DATA
INDEX
i, datvalue/...,
i, indvalue/...
Chapter 8
Multi-property entries
FORMATION
(V or L or S,
unit, M or WT)
i, enthalpy, Gibbs/...
VANDERWAALS
i, area, volume/...
Chapter 8
Component temperature-dependent properties

<property>
(phase, tunit,
propunit,
M or WT)
CORRELATION=icorr, LN or LOG or
EXPFAC=ipos,
DATA=i, tmax, tmin, c1,..., c8/...
VP(L or S,
propunit, tunit)
same as above
Chapter 8
or
TABULAR=t1, t2, ...,/i, p1, p2, ...,/...
ENTHALPY(I or L same as above

or S, propunit, tunit,
M or WT)
CP(propunit, tunit,
M or WT)
same as above
LATENT(propunit,
tunit, M or WT)
same as above
DENSITY(L or S,
propunit, tunit,
M or WT)
same as above
VISCOSITY(V or L, same as above

propunit, tunit)
CONDUCTIVITY(V same as above
or L, propunit, tunit)
SURFACE(L,
propunit, tunit)
I-1-4
same as above

Statement
Keyword
For details
see
Component temperature-dependent special properties

KVIS(M or WT or
LV)
REFVALUE(kvisunit)=value}
DATA(tunit,
kvisunit)
INDEX(tunit)
t1, t2 /i, p1, p2 /...
Chapter 5
t1, t2 /i, p1, p2 /...
Component Structural Data for UNIFAC, optional

STRUCTURE
GROUP
i, igroup(n)/...
igroup, Q j, Rj
Chapter 9
Note: The SPROP qualifier i is an integer from 1 to 9999. Up to

60 SPROP statements may be given in any one problem.
Note: If data or index values are not supplied, the kinematic
viscosity is computed using the Twu method.
Component Library
Chapter 2 documents how the user identifies to the program the
components present in the simulation. PRO/II comes standard with
an extensive pure component data base of over 1,750 components,
tabulated in Chapter 3, Chapter 4, and Chapter 5. All components
capable of vapor-liquid phase behavior have sufficient information
to be used with generalized K-value predictors and density
calculations. Most components have built in transport property
correlations. A majority of simulations with pure components use
this library exclusively and require no additional pure component
data.
Non-library Components
Components not found in the component library may be entered as
NONLIBRARY components (Chapter 2). The format for entering
user components is straightforward, however users who do this
regularly or need help in estimating unknown required properties
should use SimScis DATAPREP program. DATAPREP assists the
user in determining all necessary component properties and
develops a keyword file segment in program ready form. See your
SimSci representative for information regarding the DATAPREP
program.
I-1-5
Petroleum Components
The program handles petroleum components using industry
standard characterization techniques. The simulator estimates all
required component data given two out of three of molecular
weight, boiling point, or gravity. Refer to Chapter 2, Component
Definition, for instructions on how to enter basic PETROLEUM
data; Chapter 6, Petroleum Component Properties, for how to
change the default characterization procedures; and the PRO/II
Keyword Manual for entering stream assay data.
Solid Components
The program handles solids with particle size distributions and
user-defined attributes. See Chapter 7, Solid Component
Properties, for information on property data requirements for solid
components and associated input format. Chapter 7 is also used to
define particle size intervals and GENERAL attributes.
The user may define or override component properties for all
components in the simulation. This includes components in the
component library, user-defined components, petroleum
pseudocomponents and solid forming components. The properties
include constants (such as molecular weight or critical properties),
as well as temperature dependent properties (such as enthalpies in
various phase states). Where appropriate, properties may be given
on a mole or weight basis. Refer to Chapter 8, Component
Properties, for entering component property values.
UNIFAC Data
Chapter 9, UNIFAC Structural Groups, discusses the methods for
assigning UNIFAC structural groups and van der Waals parameters
for pure components. As discussed starting in Chapter 5, Liquid
Activity Methods, of Volume II of this manual, UNIFAC provides
a means of estimating liquid activity coefficients when actual VLE
or LLE data are unavailable.
Input Description
Category Heading Statement
(required for PRO/II, optional for PIPEPHASE)
COMPONENT DATA
I-1-6
The COMPONENT DATA statement has no entries and is required

for all PRO/II simulations. This category is required for the
simulation of compositional fluids. However, for PIPEPHASE, the
Component Data Category must not be included when simulating
non-compositional fluids.
Notes Statement (optional)

NOTES TEXT = notes line
The NOTES statement in the Component Data Section provides a

TEXT keyword that specifies the actual note.
NOTES
This statement must be placed along with the

METHOD statement of the specific thermodynamic
set to which the information pertains. One NOTES
statement is allowed per thermodynamic set.
TEXT
This entry specifies the actual

notes line(s). The Notes Data can
be specified in multiple lines, but
only the first 256 characters will be
scanned and the rest will be
discarded.
An example of information added through the NOTES statement

about the origin of the component slate for a feed stream in a
simulation follows:
COMPONENT DATA
NOTES TEXT = The component slate for this simulation &
contains light hydrocarbons from a pipeline.
LIBID 1, ETHANE/ 2, PROPANE/ 3, IBUTANE/ 4, BUTANE
Refer to Object Annotation Notes in Chapter 3, Input

Conventions, of the PRO/II Keyword Manual and its addendum for
more information.
I-1-7
Remaining COMPONENT Data Category Statements

The remaining Component Data Category statements are discussed
in subsequent sections:
I-1-8
Component Definition (conditional - Chapter 2)
Petroleum Component Characterizations (optional - Chapter 6)
Solid Attributes (optional - Chapter 7)
Component Properties (optional - Chapter 8)
Component Structural Data for UNIFAC (optional - Chapter 9)
Chapter 2
General Information
At least one component definition statement is required unless a
petroleum assay stream is defined. Each component in the
simulation has its own unique component number. Although it is
not necessary to supply the components in any particular order, all
of the component numbers must be sequential beginning with 1
through N where N is the number of components in the simulation.
An unlimited number of components may be entered.
For the vast majority of simulations, components are either selected
from the SimSci pure component database, or are defined as
petroleum components. There are about 1,750 components in the
database with comprehensive pure component properties. Selection
of one of these components with the LIBID statement automatically
recalls all of the data required to run that simulation. See Chapter 4
and Chapter 5 for a complete listing of available pure components.
Pure components not available in the library may be entered with
the NONLIBRARY statement. It is the users responsibility to enter
all data required for each NONLIBRARY component. See Chapter
8 for information on required data for each thermodynamic
generator.
Petroleum components may be defined on the PETROLEUM
statement, or derived automatically from stream assay distillations.
See Chapter 6, Petroleum Component Properties, of this manual
and Chapter 32 of the PRO/II Keyword Manual for stream assay
input requirements.
I-2-1
Input Description
Component Definition (conditional)
Any or all of these statements are allowed singly or together.
LIBID
i, library name, library number, alias/ ...

{BANK=PROCESS, SIMSCI, DIPPR, bankid ...},
{FILL=SIMSCI}
Note: The BANK keyword, if present, must be given after all

components have been listed.
Note: The FILL keyword may be supplied on either the LIBID or
NONLIB statements. When used in either location, it will activate
the property prediction methods for all library and nonlibrary
components.
The LIBID statement selects pure component from the component

library.
LIBID
I-2-2
Components are selected from the SIMSCI (LIBID) component

library.
i
Simulation component number. If the simulation

has N components, i must take on the values of 1
through N. Each component number is used exactly
once. When petroleum assay streams are defined in
the Stream Data Category, component numbers are
generated automatically.
library
name
SIMSCI library names associated with each

component. See Chapter 3, Chapter 4, and Chapter
5 for SIMSCI library names. Note that each library
component has several acceptable library names.
For a complete listing of acceptable library names
see Chapter 4.
library
number
Used primarily for internal data base indexing and

usually not input by the user.
alias
The alias is an alphanumeric string with a maximum

of 16 characters that is used in output reports, in
lieu of the library name.
BANK
Selects order of component databanks when searching for

pure components. Allowable entries are given in Table 2-1.
FILL
This keyword specifies that SIMSCI property prediction

methods be used for components missing library data, or for
components not provided by the user.
Table 2-1: Available Pure Component Banks Given in Default Order
BANK=
Description
PROCESS
The PROCESS pure component library. Provided for

upward compatibility with PROCESS and versions of
PRO/II prior to 3.01.
SIMSCI
The SIMSCI pure component library.
DIPPR
The AIChE DIPPR databank, available as an optional

add-on.
bankid
A user maintained databank. The user library is

created and maintained with the DATAPREP program.
See the DATAPREP Users Guide for further
information.
Note: The PROCESS bank has only VL components and no VLS

components. Therefore, for components which may exist in the S
phase in a unit operation (e.g., melter/freezer), it may be
necessary for the user to select the SIMSCI bank as the first bank
to search for pure component data.
NONLIBRARY
i,name/..., {FILL=SIMSCI}
Non-library components are fully defined in the keyword input file.

All necessary component properties must be supplied by the user.i
i
Defined above under LIBID.
name
An alphanumeric string with a

maximum of 16 characters that is used
in output reports.
Note: If the FILL keyword is supplied on the NONLIB statement,

each nonlibrary component must be accompanied by a
STRUCTURE statement identifying the structural groups in that
component. Only the structural groups in Table 9-1 may be used.
See Chapter 9 for more information.
PETROLEUM(densunit, tunit)
NBP/ ...
i,name, MW, std liq density,
I-2-3
Components are defined in terms of petroleum fractions.

Component properties are calculated using the specified
characterization methods.
i
Defined above under LIBID.
name
The name used in the output report for

this component. A maximum of 16
alphanumeric characters may provided.
If the name is not given, the program
will assign a name based on the normal
boiling point.
Any two of the following three are required. The remaining value is
calculated according to the MW entry on the ASSAY statement.
MW
Molecular weight.
std liquid
density
The standard liquid density measured

at 60 F in units defined by the densunit
qualifier on the PETRO statement. If no
qualifier is provided for PETRO, the
standard liquid density units are given
by the XDENSITY entry on the
DIMENSIONS statement. The defaults
are API for ENGLISH units and KG/M3
for both SI and METRIC units.
NBP
The normal boiling point at one

atmosphere in problem temperature
units.
Allowable Phases (optional)

PHASE
DEFAULT= VL or LS or S or VLS,
{VL= i, j,..., LS= i, j,...,
S= i, j,..., VLS= i, j,...}
The program can assign allowable phases for each component. This
assignment is meaningful only for simulations containing solids.
I-2-4
DEFAULT
All non-library components not identified on the PHASE

statement will be considered in the phases denoted by this
entry. The default value is VL, meaning the components may
exist in the vapor and liquid phases, but not the solid phase.
Other options defined below include LS, VLS, and S. Library
components have predefined phase defaults which may be
overridden here.
VL
A component or range of components listed in this entry

exhibit vapor-liquid phase equilibria. They may exist in the
vapor or liquid phases, or both.
LS
Defines a component or range of components that exhibit

liquid-solid phase equilibria. Components can exist in the
liquid or solid phase, or both. Examples of this class of
components are polymers and salts.
VLS
Defines a component or range of components that exhibit

vapor-liquid-solid phase equilibria. Components can exist in
any combination of phases. Examples of this class of
components are CO2 and naphthalene.
Defines a component or range of components that exist only

in the solid phase. Examples of this class of components are
zeolyte catalyst and coal.
It is recommended that the most general phase designator be used

consistent with available data. See Chapter 8, Component
Properties, for required pure component properties for VL
designated components. See Chapter 7, Solid Component
Properties, for required pure component properties for LS, VLS
and S components.
Examples
2.1: Select water, methane, ethane, and propane from the pure
component library.
LIBID1,H2O/ 2,C1/ 3,C2/ 4,C3
2.2: Search for pure component data preferentially in the USER

databank and if not found there, in the SIMSCI databank.
LIBID 1, C3/ 2, IC4/ 3, MEOH, BANK=USER, SIMSCI
2.3:
Benzene is specified as a nonlibrary component and the pure

component properties are estimated using SIMSCI
estimation methods.
TITLE PROB=PROPSTRU
COMPONENT DATA
NONLIBID 1,BENZENE, FILL=SIMSCI
STRUCTURE 1,1200(6)
GROUP 1200,0.40,0.5313
THERMODYNAMIC DATA
METHOD SYSTEM=SRK
...
I-2-5
2.4: Petroleum pseudocomponents NBP200 and NBP250 are

added to the simulation component list. They have the
following properties:
Comp.
Number
Name
MW
API
NBP (F)
21
NBP200
48.2
200
22
NBP250
135
250
PETRO 21, NBP200, , 48.2, 200/ &

22, NBP250, 135, , 250
2.5: Components 3 through 5 exist only in the solid phase

throughout the simulation. Component 6 can exist in the
liquid and solid phases, and component 7 can exist in all
phases. All other components can exist only in vapor and
liquid phase.
PHASE DEFAULT=VL, S=3,5, LS=6, VLS=7
I-2-6
Chapter 3
Common Components
Pure Component Library - Most Common Components
Component Name
Formula
Library
Name
Component Name
Formula
Library
Name
ACETIC ACID
ACETONE
ACETYLENE
AIR
2-AMINOETHOXYETHANOL
C2H4O2
C3H6O
C2H2
MIXTURE
C4H11NO2
ACETIC
ACETONE
C2H2
AIR
DGA
CYCLOPENTANE
N-DECANE
DICHLORODIFLUOROMETHANE
DIETHANOLAMINE
DIETHYL ETHER
C5H10
C10H22
CCl2F2
C4H11NO2
C4H10O
CP
NC10
R12
DEA
DEE
AMMONIA
BENZENE
BIPHENYL
1,2-BUTADIENE
1,3-BUTADIENE
NH3
C6H6
C12H10
C4H6
C4H6
NH3
BENZENE
BIPHENYL
12BD
13BD
DEITHYLENE GLYCOL
DIGLYCOL AMINE
DIMETHYL ETHER
2,2-DIMETHYLBUTANE
2,3-DIMETHYLBUTANE
C4H10O3
C4H11NO2
C2H6O
C6H14
C6H14
DEG
DGA
DME
22MB
23MB
N-BUTANE
BUTYL ACETATE
BUTYL ALCOHOL
sec-BUTANOL
1-BUTENE
C4H10
C6H12O2
C4H10O
C4H10O
C4H8
NC4
BACT
BUTANOL
SBUOH
1BUTENE
N-DODECANE
N-EICOSANE
ETHANE
ETHYL ALCOHOL
ETHYLBENZENE
C12H26
C20H42
C2H5OH
C8H10
NC12
NC20
C2H6
ETOH
EBZN
2-BUTENE (CIS)
2-BUTENE (TRANS)
tert-BUTYL ETHYL ETHER
CARBON DIOXIDE
CARBON DISULFIDE
C4H8
C4H8
C6H14O
CO2
CS2
BTC2
BTT2
ETBE
CO2
CS2
ETHYLENE
ETHYLENE GLYCOL
ETHYLENE OXIDE
N-HEPTANE
N-HEXADECANE
C2H4
C2h602
C2H4O
C7H16
C16H34
ETLN
EG
EO
NC7
NC16
CARBON MONOXIDE
CARBONYL SULFIDE
CHLORINE
CUMENE
CYCLOHEXANE
CO
COS
CL2
CO
COS
CL2
C9H12
CH
N-HEXANE
HYDROGEN
HYDROGEN CHLORIDE
HYDROGEN FLUORIDE
HYDROGEN SULFIDE
C6H14
H2
HCL
HF
H2S
NC6
H2
HCL
HF
H2S
C6H12
I-3-1
I-3-2
ISOBUTANE
ISOBUTENE
ISOPENTANE
ISOPROPYL ALCOHOL
METHANE
C4H10
C4H8
C5H12
C3H7OH
CH4
IC4
IBTE
IC5
IPA
C1
PROPYLENE
STYRENE
SULFUR DIOXIDE
SULFURIC ACID
TOLUENE
C3H6
C8H8
SO2
H2SO4
C7H8
PRLN
STYRENE
SO2
SULFURIC
TOLUENE
METHYL ALCOHOL
METHYL tert-BUTYL ETHER
METHYL CYCLOHEXANE
MEHTYL ISOBUTYL KETONE
2-METHYL-1,3-BUTADIENE
CH3OH
C5H12O
C7H14
C6H12O
C5H8
MEOH
MTBE
MCH
MIBK
IPRN
TRIETHYLENE GLYCOL
VINYL CHLORIDE
WATER
XYLENE (META)
XYLENE (ORTHO)
C6H1403
C2H3CL
H2O
C8H10
C8H10
TEG
VCM
H2O
MXYLENE
OXYLENE
METHYL DIETHANOLAMINE
METHYL MERCAPTAN
METHYL tert-PENTYL ETHER
2-METHYLPENTANE
C5H8
C5H13NO2
CH4S
C6H14O
C6H14
M12B
MDEA
CH4S
TAME
2MP
XYLENE (PARA)
C8H10
PXYLENE
3-METHYLPENTANE
2-METHYL-2-PROPANOL
MONOETHANOLAMINE
NAPHTHALENE
NEOPENTANE
C6H14
C4H10O
C2H7NO
C10H8
C5H12
3MP
TBUTANOL
MEA
NPHT
22PR
NITROBENZENE
NITROGEN
N-NONANE
N-OCTANE
OXYGEN
C6H5NO2
N2
C9H20
C8H18
NITBNZ
N2
NC9
NC8
O2
N-PENTANE
PENTYL ALCOHOL
PHENOL
PROPANE
PROPYL ALCOHOL
C5H12
C5H11O5
NC5
PENTANOL
C6H5OH
C3
PROH
C3H8
C3H7OH
Common Components
Chapter 4
Pure Component Library
Sorted Alphabetically
Master List Sorted Alphabetically
Component Name
Formula
Library Name
ABIETIC ACID
ACENAPHTHALENE
ACENAPHTHENE
ACETAL
ACETALDEHYDE
C20H30O2
C12H8
C12H10
C6H14O2
C2H4O
ABIETIC
ACENAPHT
ACENAP
DEOE
ACH
ACETAL
ACTALD
11DEXETN
ACETALD
ACETALDOL
ACETAMIDE
ACETAMINOPHEN
ACETANILIDE
ACETIC ACID
C4H8O2
C2H5NO
C8H9NO2
C8H9NO
C2H4O2
ACETALDL
ACTAMIDE
TYLENOL
ACTANLD
HAC
ACETIC
ACETACID
ACETIC ANHYDRIDE
ACETOACETANILIDE
2-ACETOACETOXY ETHYL METHACRYLATE
ACETOL
ACETONE
C4H6O3
C10H11NO2
C10H14O5
C3H6O2
C3H6O
AC2O
ACEACEAN
2ACACEEM
ACETOL
DMK
ACETANHD
ACETONE CYANOHYDRIN
ACETONITRILE
ACETOPHENONE
ACETOVANILLONE
ACETYL CHLORIDE
C4H7NO
C2H3N
C8H8O
C9H10O3
C2H3ClO
ACCN
ACEN
ACPH
APOCYNIN
ACCL
ACTONCN
ACETNTRL
ACTPHNON
CH3CN
C2H3CLO
ACTLCHLR
ACETYLACETONE
ACETYLENE
ACETYLSALICYLIC ACID
ACRIDINE
ACROLEIN
C5H8O2
C2H2
C9H8O4
C13H9N
C3H4O
ADMK
ACTL
ASPIRIN
ACRIDINE
ACRH
ACTACTON
ACETYLN
ETHYNE
ACROLN
ACROLEIN
HOAC
ACETONE
C2H2
I-4-1
Component Name
Formula
Library Name
ACROLEIN CYANOHYDRIN
ACRYLAMIDE
ACRYLIC ACID
ACRYLONITRILE
ADAMANTANE
C4H5NO
C3H5NO
C3H4O2
C3H3N
C10H16
CRCN
ACRYAMDI
HACR
ACRN
ADAMANTA
ACRLCN
2PROAMD
ACRYLIC
ACRYNTRL
ADIPIC ACID
ADIPONITRILE
AIR
ALLYL ACETATE
ALLYL ALCOHOL
C6H10O4
C6H8N2
MIXTURE
C5H8O2
C3H6O
HADI
ADIPNTRL
AIR
AACETAT
AA
ADIPIC
ALLYL METHACRYLATE
ALLYLAMINE
ALPHANOL
ALUMINUM
ALUMINUM CHLORIDE
C7H10O2
C3H7N
MIXTURE
Al
AlCl3
ALYMACRY
ALLAMINE
ALPH
AL
ALCL3
ALUMINUM HYDROXIDE
ALUMINUM OXIDE
ALUMINUM PHOSPHATE (ORTHO)
ALUMINUM SULFATE
ALUMINUM TRIBROMIDE
AlH3O3
Al2O3
AlO4P
Al2O12S3
AlBr3
ALHYDRO
ALOXIDE
ALPO4
ALSULFAT
ALBR3
p-AMINOAZOBENZENE
AMINOACETONITRILE
1,4-AMINO-1-BUTANOL
AMINOCAPRONITRILE
p-AMINODIPHENYL
C12H11N3
C2H4N2
C4H12N2O
C6H12N2
C12H11N
PABZ
CYMEAM
AEEA
AMCPNTRL
PAMDP
p-AMINODIPHENYLAMINE
12-AMINODODECANOIC ACID
1-AMINOHEPTANE
6-AMINOHEXANOL
C12H12N2
C12H25NO2
C4H11NO2
C7H17N
C6H15NO
PAMDPHEN
ADAC
DGA
HPAMINE
6AMHEXOL
1-AMINO-2-PROPANOL
3-AMINO-1-PROPANOL
AMMONIA
AMMONIUM ACETATE
AMMONIUM BISULFATE
C3H9NO
C3H9NO
H3N
C2H7NO2
H5NO4S
IPAA
PRAA
NH3
AMACET
NH5SO4
AMMONIUM BISULFITE
AMMONIUM CHLORIDE
AMMONIUM HYDROXIDE
AMMONIUM NITRATE
AMMONIUM OXALATE
H5NO3S
ClH4N
H5NO
H4N2O3
C2H8N2O4
NH5SO3
NH4CL
NH5O
NH4N2O3
AMOXALT
AMMONIUM PERCHLORATE
AMMONIUM PHOSPHATE
AMMONIUM SULFATE
AMMONIUM SULFITE
p-tert-AMYLPHENOL
ClH4NO4
H6NO4P
H8N2O4S
H8N2O3S
C11H16O
NH4CLO4
NH6PO4
AMSULFAT
AMSULFIT
PTAMPHN
I-4-2
ACROLNCN
ACRLACID
ACRA
ALLYLALC
ALPHANOL
ALUMINM
AEEAM
AEETHNLA
12AMDDAC
DIGLYCAM
12AM12AC
DDGA
1AM2PRP
NPRAAM
AMMONIA
3AM1PRP
DGAH
Component Name
Formula
Library Name
ANETHOLE
ANILINE
o-ANISIDINE
ANISOLE
ANTHRACENE
C10H12O
C6H7N
C7H9NO
C7H8O
C14H10
ANETHOLE
ANLN
OMANILIN
MPHE
ANTH
ANTHRAQUINONE
ANTIMONY TRICHLORIDE
ARGON
ARSENIC
ARSENIC TRIOXIDE
C14H8O2
Cl3Sb
Ar
As
As2O3
ARSINE
ASCORBIC ACID
AZELAIC ACID
AZOBENZENE
BARIUM CARBONATE
ANILIN
ANILINE
ANISOLE
ANTHRCEN
MPHETHER
ANTQUIN
ANTRICL
AR
ARSENIC
ASTO
ARGON
AsH3
C6H8O6
C9H16O4
C12H10N2
CBaO3
ARSINE
ASCORBIC
AZELAIC
AZOBNZ
BACO3
ANCHOIC
C7DIACID
BEHENIC ACID
BENZALDEHYDE
BENZENE
1,2-BENZENEDIOL
1,3-BENZENEDIOL
C22H44O2
C7H6O
C6H6
C6H6O2
C6H6O2
BEHENIC
BZAL
BNZN
12BZDIOL
13BZDIOL
C22ACID
BNZALD
BENZENE
BENZOL
C6H6
BENZENESULFONIC ACID
1,2,3-BENZENETRIOL
BENZIDINE
BENZOIC ACID
BENZONITRILE
C6H6O3S
C6H6O3
C12H12N2
C7H6O2
C7H5N
BZSULFON
123BZTOL
BENZIDIN
BNZACID
BNZNITRL
HBNZ
HOBZBA
BENZOPHENONE
BENZOTHIOPHENE
BENZOTRICHLORIDE
BENZOTRIFLUORIDE
BENZOYL CHLORIDE
C13H10O
C8H6S
C7H5Cl3
C7H5F3
C7H5ClO
BNZPHENO
BZTHIOPH
BZTRICL
BZTRIF
BNZOYLCL
BENZOYL PEROXIDE
BENZYL ACETATE
BENZYL ALCOHOL
BENZYL BENZOATE
BENZYL CHLORIDE
C14H10O4
C9H10O2
C7H8O
C14H12O2
C7H7Cl
BZPOX
BZLACTAT
BNZA
BNZBZOAT
BNZLCL
BENZYL DICHLORIDE
BENZYL ETHYL ETHER
BENZYL FORMATE
BENZYL MERCAPTAN
BENZYLAMINE
C7H6Cl2
C9H12O
C8H8O2
C7H8S
C7H9N
BZDCL
BZLEETHR
BNZYFORM
BENZYLTH
BZAM
BERYLLIUM
BICYCLOHEXYL
BIPHENYL
BISMUTH
BIS(CHLOROMETHYL)ETHER
Be
C12H22
C12H10
Bi
C2H4Cl2O
BERYL
BICHXL
BIPH
BISMUTH
BISCLETR
HOPGAL
BENZOIC
BNZLALC
BZAMIN
BNZLAMIN
BICYHXL
BIPHENYL
I-4-3
Component Name
Formula
Library Name
BIS(CYANOETHYL)ETHER
BISPHENOL A
BORAX
BORIC ACID
BORON TRICHLORIDE
C6H8N2O
C15H16O2
B4H20Na2O17
BH3O3
BCl3
BCYEET
BSPHNOLA
BORAX
BORICACD
BCL3
BORON TRIFLUORIDE
BROMINE
BROMOBENZENE
1-BROMOBUTANE
2-BROMOBUTANE
BF3
Br2
C6H5Br
C4H9Br
C4H9Br
BF3
BR2
BRBZ
1BRBUTAN
2BRBUTAN
BROMOCHLORODIFLUOROMETHANE
BROMOCHLOROMETHANE
BROMOETHANE
1-BROMOHEPTANE
1-BROMOHEXANE
CBrClF2
CH2BrCl
C2H5Br
C7H15Br
C6H13Br
R12B1
BRCLM
ETBR
1BRHPT
1BRHXAN
1-BROMONAPHTHALENE
1-BROMOPROPANE
2-BROMOPROPANE
1,2-BROMOTOLUENE
1,3-BROMOTOLUENE
C10H7Br
C3H7Br
C3H7Br
C7H7Br
C7H7Br
1BRNAPH
1BRPRPAN
2BRPRPAN
OBRTOL
MBRTOL
p-BROMOTOLUENE
BROMOTRICHLOROMETHANE
BROMOTRIFLUOROETHYLENE
BROMOTRIFLUOROMETHANE
1,2-BUTADIENE
C7H7Br
CBrCl3
C2BrF3
CBrF3
C4H6
PBRTOL
BRTRICLM
BRTFETE
TFBR
12BD
1,3-BUTADIENE
n-BUTANE
1,2-BUTANEDIOL
1,3-BUTANEDIOL
1,4-BUTANEDIOL
C4H6
C4H10
C4H10O2
C4H10O2
C4H10O2
13BD
BUTANE
12BTD
13BTD
14BTD
2,3-BUTANEDIOL
n-BUTANOL
sec-BUTANOL
tert-BUTANOL
1-BUTENE
C4H10O2
C4H10O
C4H10O
C4H10O
C4H8
cis-2-BUTENE
trans-2-BUTENE
cis-2-BUTENE-1,4-DIOL
trans-2-BUTENE-1,4-DIOL
2-BUTOXYETHANOL
n-BUTYL ACETATE
sec-BUTYL ACETATE
tert-BUTYL ACETATE
n-BUTYL ACRYLATE
n-BUTYL BENZOATE
I-4-4
BORNTRCL
BROMINE
C6H5BR
BRBENZEN
BCF2M
HAL1211
C2H5BR
EBROMID
CBRF3
R13B1
12BUTD
H1301
CF3BR
13BUTD
BUTN
BIVINYL
NC4
NBUTANE
23BTD
NBA
SBA
TBA
BUT1
BUTANOL
SBUTANOL
TBUTANOL
1BUTENE
BUTLALC
SBUTALC
TBUTALC
BUOH
SBUOH
TBUOH
C4H8
C4H8
C4H8O2
C4H8O2
C6H14O2
BTC2
BTT2
C2BTDIOL
T2BTDIOL
2BEA
C2BUTENE
T2BUTENE
CC4DI
TC4DI
2BUTXEA
C6H12O2
C6H12O2
C6H12O2
C7H12O2
C11H14O2
BACT
SBACTAT
TBACTATE
BACR
BOBZ
BACTAT
BUOAC
BUOBZAT
BRCLF2C1
BXEA
BACRLAT
BBENZOAT
Component Name
Formula
Library Name
n-BUTYL n-BUTYRATE
n-BUTYL CHLORIDE
sec-BUTYL CHLORIDE
tert-BUTYL CHLORIDE
n-BUTYL ETHYL ETHER
C8H16O2
C4H9Cl
C4H9Cl
C4H9Cl
C6H14O
BUBUTRAT
1CLB
2CLB
TBCL
EBE
p-tert-BUTYL ETHYLBENZENE
n-BUTYL FORMATE
t-BUTYL HYDROPEROXIDE
n-BUTYL ISOCYANATE
n-BUTYL MERCAPTAN
C12H18
C5H10O2
C4H10O2
C5H9NO
C4H10S
PTBUTEBZ
BFORMATE
TBUTHYPR
BUISOCY
BU1THIOL
sec-BUTYL MERCAPTAN
tert-BUTYL MERCAPTAN
n-BUTYL METHACRYLATE
n-BUTYL NONANOATE
n-BUTYL PROPIONATE
C4H10S
C4H10S
C8H14O2
C13H26O2
C7H14O2
2MPR1THL
2MPR2THL
BMACRLAT
NBNONATE
BUPRNAT
n-BUTYL STEARATE
n-BUTYL VALERATE
BUTYL VINYL ETHER
n-BUTYLAMINE
sec-BUTYLAMINE
C22H44O2
C9H18O2
C6H12O
C4H11N
C4H11N
BUSTRAT
BUVALRAT
BVETHER
BAMN
SBTAMINE
tert-BUTYLAMINE
n-BUTYLBENZENE
sec-BUTYLBENZENE
tert-BUTYLBENZENE
p-tert-BUTYLCATECHOL
C4H11N
C10H14
C10H14
C10H14
C10H14O2
TBTAMINE
BBNZ
SBBZ
TBBZ
PTBUCAT
n-BUTYLCYCLOHEXANE
sec-BUTYLCYCLOHEXANE
tert-BUTYLCYCLOHEXANE
BUTYLCYCLOPENTANE
tert-BUTYLFORMAMIDE
C10H20
C10H20
C10H20
C9H18
C5H11NO
BCH
SBCH
TBCH
BCYP
TBUTFORM
sec-BUTYLFORMATE
tert-BUTYLFORMATE
1-n-BUTYLNAPHTHALENE
2-BUTYLNAPHTHALENE
p-tert-BUTYLPHENOL
C5H10O2
C5H10O2
C14H16
C14H16
C10H14O
SBFORMAT
TBFORMAT
1BNP
2BNP
PTBUPH
p-tert-BUTYLSTYRENE
2-BUTYNE-1,4-DIOL
n-BUTYRALDEHYDE
n-BUTYRIC ACID
BUTYRIC ANHYDRIDE
C12H16
C4H6O2
C4H8O
C4H8O2
C8H14O3
4TBUTSTY
2BTYDIO
BALD
HBTR
BANHYD
gamma-BUTYROLACTONE
n-BUTYRONITRILE
CAFFEINE
CALCIUM
CALCIUM CARBONATE
C4H6O2
C4H7N
C8H10N4O2
Ca
CCaO3
GBLAC
BUTR
CAFFEINE
CALCIUM
CACO3
1CLBUTAN
2CLBUTAN
TERBUCL
EBETHER
BUAMIN
BBENZENE
SBBENZEN
TBBENZEN
BCYHXAN
SBCYHXAN
TBCYHXAN
BCYPNTAN
1BNAPHTH
2BNAPHTH
BUTRALD
BUTYRIC
BUH
BUTRACID
HOBU
GBUTRLAC
BNITRILE
I-4-5
Component Name
Formula
Library Name
CALCIUM CHLORIDE
CALCIUM FLUORIDE
CALCIUM HYDROXIDE
CALCIUM HYPOCHLORITE
CALCIUM OXIDE
CaCl2
CaF2
CaH2O2
CaCl2O2
CaO
CACL2
CAF2
CAHYDROX
CAHYPCLD
CAO
CALCIUM SULFATE
CAMPHENE
CAMPHOR
epsilon-CAPROLACTAM
CAPROLACTONE
CaO4S
C10H16
C10H16O
C6H11NO
C6H10O2
CASO4
CAMPHENE
CAMPHOR
CPLC
CPLT
CAPRYLONITRILE
CARBON
CARBON DIOXIDE
CARBON DISULFIDE
CARBON MONOXIDE
C10H19N
C
CO2
CS2
CO
CARBON TETRACHLORIDE
CARBON TETRAFLUORIDE
CAPLAC
CAPLTN
CAPLACTM
CAPLCTON
CPNR
CARBON
CO2
CS2
CO
CAPNTR
CAPNITRL
CRBDIOXD
CRBDSULF
CRBMOXD
C02
CCl4
CF4
CCL4
R14
R10
F14
F10
CF4
CARBONYL FLUORIDE
CARBONYL SULFIDE
4-CARBOXYBENZALDEHYDE
CF2O
COS
C8H6O3
CF2O
COS
TEREPAHO
CRBNYLFL
CRBLSULF
CESIUM
CETYL METHACRYLATE
CHLORINE
CHLORINE DIOXIDE
CHLOROACETALDEHYDE
Cs
C20H38O2
Cl2
ClO2
C2H3ClO
CESIUM
CETMACRY
CL2
CLO2
CLACETAL
CAESIUM
CHLOROACETIC ACID
CHLOROACETYL CHLORIDE
m-CHLOROANILINE
o-CHLOROANILINE
p-CHLOROANILINE
C2H3ClO2
C2H2Cl2O
C6H6ClN
C6H6ClN
C6H6ClN
CLACETIC
CLACCL
3CLANLN
2CLANLN
4CLANLN
o-CHLOROBENZOIC ACID
p-CHLOROBENZOTRIFLUORIDE
m-CHLOROBENZOYL CHLORIDE
1-CHLORO-1,3-BUTADIENE
2-cis-1-CHLOROBUTENE
C7H5ClO2
C7H4ClF3
C7H4Cl2O
C4H5Cl
C4H7Cl
OCLBZOIC
PCLBTRF
MCLBZLCL
CLBD
1BEC
3-CHLOROBUTENE-1
1-CHLORO-1,1-DIFLUOROETHANE
2-CHLORO-1,1-DIFLUOROETHYLENE
CHLORODIFLUOROMETHANE
1-CHLORO-2,4-DINITROBENZENE
C4H7Cl
C2H3ClF2
C2HClF2
CHClF2
C6H3ClN2O4
3BE1
CFFE
2CL11DFE
R22
1CL24DNB
I-4-6
C0
CARBNTET
CARTETF
CHLORINE
1CLBD
1CLB2CIS
3CLBUTE1
R142B
C2HCLF2
F22
1CL13BD
C2H3CLF2
CLDFET
CLDFMTHN
I22
Component Name
Formula
Library Name
2-CHLOROETHANOL
bis-2-CHLOROETHYL-2-CHLOROETHYL
PHOSPHONATE
CHLOROFORM
1-CHLOROHEXANE
2-CHLORO-2-METHYLBUTANE
C2H5ClO
C6H12Cl3O3P
CHCl3
C6H13Cl
C5H11Cl
CLEA
B2C2CPHN
CLFR
1CLHXANE
2C2M
CLETOH
2-CHLORO-3-METHYLBUTENE-2
CHLOROMETHYL METHYL ETHER
1-CHLORONAPHTHALENE
m-CHLORONITROBENZENE
C5H9Cl
C5H9Cl
C2H5ClO
C10H7Cl
C6H4ClNO2
2C3M
3C2M
CMME
1CLNAPH
1CL3NBZ
2CL3MBT2
3CL2MBT1
o-CHLORONITROBENZENE
p-CHLORONITROBENZENE
4-CHLORO-3-NITROBENZOTRIFLUORIDE
CHLOROPENTAFLUOROETHANE
1-CHLOROPENTANE
C6H4ClNO2
C6H4ClNO2
C7H3ClF3NO2
C2ClF5
C5H11Cl
2CL1NBZ
4CL1NBZ
4CL3NBTF
R115
1CLPNTAN
OCLNBZ
PCLNBZ
m-CHLOROPHENOL
o-CHLOROPHENOL
p-CHLOROPHENOL
CHLOROPRENE
2-CHLOROPROPENE
C6H5ClO
C6H5ClO
C6H5ClO
C4H5Cl
C3H5Cl
3CLPHNOL
2CLPHNOL
4CLPHNOL
2BD
2CPE
3-CHLOROPROPENE
2-CHLOROPYRIDINE
CHLOROSULFONIC ACID
2-CHLORO-1,1,1,2-TETRAFLUOROETHANE
3-CHLOROTOLUENE
C3H5Cl
C5H4ClN
ClHO3S
C2HClF4
C7H7Cl
ACL
2CLPYRD
HCLSO3
HFC124
MCLTOL
o-CHLOROTOLUENE
p-CHLOROTOLUENE
1-CHLORO-2,2,2-TRIFLUOROETHANE
CHLOROTRIFLUOROETHYLENE
CHLOROTRIFLUOROMETHANE
C7H7Cl
C7H7Cl
C2H2ClF3
C2ClF3
CClF3
OCLTOL
PCLTOL
CLTRFETH
CLTFETE
R13
CHOLESTEROL
CHROMIUM TRIOXIDE
CHRYSENE
CINNAMIC ACID
CITRACONIC ACID
C27H46O
CrO3
C18H12
C9H8O2
C5H6O4
CHOLESRL
CRO3
CHRYSENE
CINNAMIC
CITRONIC
CITRIC ACID
m-CRESOL
o-CRESOL
p-CRESOL
trans-CROTONALDEHYDE
C6H8O7
C7H8O
C7H8O
C7H8O
C4H6O
CITRIC
MCAC
OCAC
PCAC
CRTA
CHCL3
CHLOROFM
2CL2MB
MCLNBZ
F115
CLF5
2CLBD
2CLPRPEN
2CL13BD
CLONFETH
ALLYLCL
C2CLF3
F13
CLTFMTHN
MCRESOL
OCRESOL
PCRESOL
CRTALD
MCRESAC
OCRESAC
PCRESAC
CROTALD
CCLF3 I13
I-4-7
Component Name
Formula
Library Name
cis-CROTONIC ACID
trans-CROTONIC ACID
cis-CROTONITRILE
trans-CROTONITRILE
CUMENE
C4H6O2
C4H6O2
C4H5N
C4H5N
C9H12
HOCC
HOTC
CCTRN
CRTN
CUMN
CCROTIC
TCROTIC
2BUTEIC
TCRONTRL
CUMENE
IPRBNZN
CUMENE HYDROPEROXIDE
p-CUMYLPHENOL
CUPRIC CHLORIDE
CUPRIC SULFATE
CUPROUS CHLORIDE
C9H12O2
C15H16O
Cl2Cu
CuO4S
ClCu
CHPO
PCPH
CUCL2
CUSO4
CUCL
CUHYPROX
PCPHENOL
PCUPHNOL
1-CYANOBUTADIENE
CYANOGEN
CYANOGEN CHLORIDE
11-CYANOUNDECANOIC ACID
CYANURIC CHLORIDE
C5H5N
C2N2
CClN
C12H21NO2
C3Cl3N3
CNBD
CNCN
CNCL
CUDA
CYANURCL
1CNBUTD
CYANOGEN
CYANOCL
11CNUDAC
11CN11AC
CYCLOBUTANE
CYCLODECANE
CYCLOHEPTANE
CYCLOHEPTANOL
CYCLOHEPTANONE
C4H8
C10H20
C7H14
C7H14O
C7H12O
CYBU
CYCDECAN
CHP
CYHPTNOL
CYHPTNON
CYCBUTAN
CYCLOHEPTENE
1,3-CYCLOHEXADIENE
1,4-CYCLOHEXADIENE
CYCLOHEXANE
1,4-CYCLOHEXANEDICARBOXYLIC ACID
C7H12
C6H8
C6H8
C6H12
C8H12O4
CYHEPTEN
13CD
14CD
CH
14CHDCAR
CYCLOHEXANOL
CYCLOHEXANONE
CYCLOHEXANONE OXIME
CYCLOHEXENE
CYCLOHEXYL ACETATE
C6H12O
C6H10O
C6H11NO
C6H10
C8H14O2
CHXANOL
CHXA
CHXANONE
CHON
CYHXNOXM
CHEN
CHXEN
CHACTATE
2-CYCLOHEXYL CYCLOHEXANONE
CYCLOHEXYL FORMATE
CYCLOHEXYL ISOCYANATE
CYCLOHEXYL MERCAPTAN
CYCLOHEXYL PEROXIDE
C12H20O
C7H12O2
C7H11NO
C6H12S
C6H12O2
2CYHCYHO
CYC6FORM
CYC6ICN
CYC6THIO
CYHPEROX
CYCLOHEXYLAMINE
CYCLOHEXYLBENZENE
CYCLONONANE
1,5-CYCLOOCTADIENE
CYCLOOCTANE
C6H13N
C12H16
C9H18
C8H12
C8H16
CHXAMINE
CHXBNZ
CNON
15COD
COCT
CYCLOOCTANOL
CYCLOOCTANONE
CYCLOOCTENE
CYCLOPENTADIENE
CYCLOPENTANE
C8H16O
C8H14O
C8H14
C5H6
C5H10
CYOCTNOL
CYOCTNON
CYLOCTEN
CD13
CP
I-4-8
CYHEPTAN
13CHXD
CYHEXANE
CYHX
CYC6
CHXLALC
CHOL
CYCLHXEN
CYNONANE
CYOCTANE
13CPD
CYPNTANE
Component Name
Formula
Library Name
CYCLOPENTANOL
CYCLOPENTANONE
CYCLOPENTENE
CYCLOPENTYLAMINE
CYCLOPROPANE
C5H10O
C5H8O
C5H8
C5H11N
C3H6
CYPNTNOL
CPTN
CPE
CYPNAMIN
CYPR
m-CYMENE
o-CYMENE
p-CYMENE
DECAFLUOROBUTANE
cis-DECAHYDRONAPHTHALENE
C10H14
C10H14
C10H14
C4F10
C10H18
MCYM
OCYM
PCYM
PFC4
CISD
MCYMENE
OCYMENE
PCYMENE
PFBUTAN
CDECALIN
trans-DECAHYDRONAPHTHALENE
DECAMETHYL CYCLOPENTASILOXANE
DECAMETHYL TETRASILOXANE
1-DECANAL
n-DECANE
C10H18
C10H30O5Si5
C10H30O3Si4
C10H20O
C10H22
TRND
DMCPSLN
DMTSN
DECANAL
DECA
TDECALIN
DECANE
NC10
n-DECANOIC ACID
1-DECANOL
1-DECENE
DECYL ACETATE
n-DECYL MERCAPTAN
C10H20O2
C10H22O
C10H20
C12H24O2
C10H22S
DECANOIC
DALC
DEC1
DECACTAT
C10SH
C10ACID
DECANOL
1DECENE
DECLALC
n-DECYLAMINE
n-DECYLBENZENE
n-DECYLCYCLOHEXANE
DECYLCYCLOPENTANE
1-n-DECYLNAPHTHALENE
C10H23N
C16H26
C16H32
C15H30
C20H28
DECAM
C10BNZN
C10CYH
DCCP
C10NAPH
C10AMINE
DEHYDROABIETYLAMINE
DEUTERIUM
DEUTERIUM OXIDE
DEUTEROMETHANE
DEXTROSE
C20H31N
D2
D2O
CD4
C6H12O6
DHABIEAM
D2
D2O
CD4
DEXTROSE
DIACETONE ALCOHOL
DI(2-ETHYLHEXYL)ADIPATE
DIALLYL MALEATE
DIALLYLAMINE
DIAMANTANE
C6H12O2
C22H42O4
C10H12O4
C6H11N
C14H20
DAA
OCTADIPT
DIALMAL
DIALAM
DIAMTANE
DIAMMONIUM PHOSPHATE
DIAMYLAMINE
DIBENZOFURAN
DIBENZOPYRROLE
DIBENZOTHIOPHENE
H9N2O4P
C10H23N
C12H8O
C12H9N
C12H8S
DAMPHOS
DAAM
DBZFURAN
CARBAZOL
DIBZTHIO
DIBENZYL ETHER
DIBENZYLAMINE
DIBORANE
1,2-DIBROMOBENZENE
1,4-DIBROMOBENZENE
C14H14O
C14H15N
B2H6
C6H4Br2
C6H4Br2
DBZLETHR
DBZAMIN
B2H6
12DBRBNZ
14DBRBNZ
CYPNTNON
CYCPNTE
CYPROPAN
CYC3
DFBUTAN
DCCYPNTN
DEUTRIUM
DTRIUMOX
DMETHANE
DACTNALC
DBNZPYR
DIBORAN
ODBRBNZ
PDBRBNZ
I-4-9
Component Name
Formula
Library Name
1,2-DIBROMOCHLOROTRIFLUOROETHANE
DIBROMODIFLUOROMETHANE
1,1-DIBROMOETHANE
1,2-DIBROMOETHANE
DIBROMOMETHANE
C2Br2ClF3
CBr2F2
C2H4Br2
C2H4Br2
CH2Br2
DBCLTRFE
12B2
11DBRME
EDBR
DBRM
1,2-DIBROMOTETRAFLUOROETHANE
DI-n-BUTYL ETHER
DI-sec-BUTYL ETHER
DI-tert-BUTYL ETHER
DI-n-BUTYL KETONE
C2Br2F4
C8H18O
C8H18O
C8H18O
C9H18O
R114B2
DBE
DIBE
DTBE
DBK
DIBUTYL MALEATE
DI-t-BUTYL PEROXIDE
DIBUTYL PHTHALATE
DIBUTYL SEBACATE
DI-n-BUTYL SULFATE
C12H20O4
C8H18O2
C16H22O4
C18H34O4
C8H18O4S
DBUTMAL
DTBPEROX
DBPT
DC4SEBCA
DBSULFAT
DI-n-BUTYL SULFONE
DI-n-BUTYLAMINE
2,6-DI-tert-BUTYL-p-CRESOL
DICHLOROACETALDEHYDE
DICHLOROACETIC ACID
C8H18O2S
C8H19N
C15H24O
C2H2Cl2O
C2H2Cl2O2
DBSULFON
DBAM
BHT
DCLACEAL
DCLACETA
DICHLOROACETYL CHLORIDE
3,4-DICHLOROANILINE
m-DICHLOROBENZENE
o-DICHLOROBENZENE
p-DICHLOROBENZENE
C2HCl3O
C6H5Cl2N
C6H4Cl2
C6H4Cl2
C6H4Cl2
DCLACTCL
34DCLANL
MCBZ
OCBZ
PCBZ
CL2C6H4
C6H4CL2
H4C6CL2
2,4-DICHLOROBENZOTRIFLUORIDE
2,3-DICHLORO-1,3-BUTADIENE
1,2-DICHLOROBUTANE
1,4-DICHLOROBUTANE
2,3-DICHLOROBUTANE
C7H3Cl2F3
C4H4Cl2
C4H8Cl2
C4H8Cl2
C4H8Cl2
24CLBTRF
23CD
12CB
14CB
23CB
23DCL13B
12DCLBN
14DCLBN
23DCLBN
1,3-DICHLORO-trans-2-BUTENE
1,4-DICHLORO-cis-2-BUTENE
3,4-DICHLORO-1-BUTENE
C4H6Cl2
C4H6Cl2
C4H6Cl2
C4H6Cl2
CCl2F2
13CT
14CC
14CT
34CE
R12
13DCLBET
DICHLORODIISOPROPYL ETHER
1,1-DICHLOROETHANE
1,2-DICHLOROETHANE
1,1-DICHLOROETHYLENE
cis-1,2-DICHLOROETHYLENE
C6H12Cl2O
C2H4Cl2
C2H4Cl2
C2H2Cl2
C2H2Cl2
DCIE
11C2
12CE
11CE
CE12
DCLIPE
11DCLETH
EDC
11DCLETE
12DCLETC
I-4-10
CBR2F2
DBDFM
12DBRE
DBRMETHN
C2H4BR2
F114B2
DBETHR
DIBETHR
DTBETHR
12DBRTFE
BETHER
DSBE
DBPHTHAT
DBAMIN
STAVOX
14DCLBET
34DCLBE1
F12
MDCLBNZN
ODCLBNZN
PDCLBNZN
DOWTHRME
DCLDFMTH
CCL2F2
DCLDIPE
12DCLETH
Component Name
Formula
Library Name
trans-1,2-DICHLOROETHYLENE
1,1-DICHLORO-1-FLUOROETHANE
DICHLOROFLUOROMETHANE
1,2-DICHLOROHEXAFLUOROCYCLOBUTANE
1,3-DICHLOROHEXAFLUOROPROPANE
C2H2Cl2
C2H3Cl2F
CHCl2F
C4Cl2F6
C3Cl2F6
12TE
R141B
R21
12DCHFCB
R216CA
12DCLETT
DICHLOROMETHANE
2,3-DICHLORO-2-METHYLBUTANE
1,2-DICHLORO-4-NITROBENZENE
1,5-DICHLOROPENTANE
2,3-DICHLOROPENTANE
CH2Cl2
C5H10Cl2
C6H3Cl2NO2
C5H10Cl2
C5H10Cl2
CL2M
232B
12DC4NB
15DCLPN
23PN
DCLMETHN
23DCL2MB
3,4-DICHLOROPHENYL ISOCYANATE
1,1-DICHLOROPROPANE
1,2-DICHLOROPROPANE
1,3-DICHLOROPROPANE
1,3-DICHLOROPROPENE
C7H3Cl2NO
C3H6Cl2
C3H6Cl2
C3H6Cl2
C3H4Cl2
34CLPISO
11PR
12PR
13PR
13PE
2,3-DICHLOROPROPENE
2,3-DICHLOROPROPYL ALCOHOL
DI-3-CHLOROPROPYL ETHER
DICHLOROSILANE
1,1-DICHLOROTETRAFLUOROETHANE
C3H4Cl2
C3H6Cl2O
C6H12Cl2O
Cl2H2Si
C2Cl2F4
23PE
CLPA
DCPE
DCLSILA
11TF
2,4-DICHLOROTOLUENE
1,1-DICHLORO-2,2,2-TRIFLUOROETHANE
DICUMYL PEROXIDE
C2Cl2F4
C7H6Cl2
C2HCl2F3
C2HCl2F3
C18H22O2
R114
24CLTOL
11DCLTFE
HFC123A
DCPEROX
DICYANDIAMIDE
1,4-DICYANO-2-BUTENE
cis-DICYANO-1-BUTENE
trans-DICYANO-1-BUTENE
DICYCLOHEXYLAMINE
C2H4N4
C6H6N2
C6H6N2
C6H6N2
C12H23N
DCYANAM
14DCY2B
CDCY2BT
TDCY1BT
DCHAM
DICYCLOPENTADIENE
DIDECYL PHTHALATE
DIETHANOLAMINE
DIETHOXYMETHANE
DIETHYL CARBONATE
C10H12
C28H46O4
C4H11NO2
C5H12O2
C5H10O3
DCPD
DDPT
DEA
DEXM
DECARB
DICYCPD
DDPHTHAT
DDEA
DEXMETHN
DIETHYL DISULFIDE
DIETHYL ETHER
DIETHYL KETONE
DIETHYL MALEATE
DIETHYL MALONATE
C4H10S2
C4H10O
C5H10O
C8H12O4
C7H12O4
DEDS
DEE
DEK
DEMALEAT
DETMAL
DEDSULFD
EETHER
DEKETONE
DIETHYL OXALATE
DIETHYL PHTHALATE
DIETHYL SUCCINATE
DIETHYL SULFATE
DIETHYL SULFIDE
C6H10O4
C12H14O4
C8H14O4
C4H10O4S
C4H10S
DEOXLAT
DEPT
DESNAT
DETDSUFT
DES
CL2F
DCLFMTHM
CHCL2F
23CLPN
23DCLPNT
12CLPR
12DCLPRP
13CLPE
13DCLPRE
23CLPA
D3CLPRE
23CLPALC
CL2C2F4
11CLTFET
12CLETFET
C2CL2F4
I114
DETHNLAM
DEAH
ET2O
DEPHTHAT
DESUCNAT
C4H10S
DESULFID
I-4-11
Component Name
Formula
Library Name
DIETHYL SULFITE
DIETHYLAMINE
2,6-DIETHYLANILINE
m-DIETHYLBENZENE
o-DIETHYLBENZENE
C4H10O3S
C4H11N
C10H15N
C10H14
C10H14
DESULFIT
DEAM
26DEAN
13DEBZ
ODEBZ
p-DIETHYLBENZENE
2,6-DIETHYLNAPHTHALENE
DIETHYLENE GLYCOL
DIETHYLENE GLYCOL DI-n-BUTYL ETHER
DIETHYLENE GLYCOL DIETHYL ETHER
C10H14
C14H16
C4H10O3
C12H26O3
C8H18O3
14EZ
26DENP
DEG
DEGDBE
DEGDEE
DIETHYLENE GLYCOL DIMETHYL ETHER

DIETHYLENE GLYCOL ETHYL ETHER ACETATE
DIETHYLENE GLYCOL MONOBUTYL ETHER ACETATE
DIETHYLENE GLYCOL MONOBUTYL ETHER
DIETHYLENE GLYCOL MONOPROPYL ETHER
C6H14O3
C8H16O4
C10H20O4
C8H18O3
C7H16O3
DEGDME
22EOXYAC
DEGMBEAC
DEGMBE
DEGMPE
DIETHYLENE TRIAMINE
3,3-DIETHYLPENTANE
1,2-DIFLUOROBENZENE
1,3-DIFLUOROBENZENE
1,4-DIFLUOROBENZENE
C4H13N3
C9H20
C6H4F2
C6H4F2
C6H4F2
DETM
33EP
12DFBZ
13DFBNZ
14DFBNZ
DETRAM
33DEPN
DETLNTRA
1,1-DIFLUOROETHANE
1,2-DIFLUOROETHANE
1,1-DIFLUOROETHYLENE
DIFLUOROMETHANE
DIGLYCOLIC ACID
C2H4F2
C2H4F2
C2H2F2
CH2F2
C4H6O5
11F2
12DFETHN
G150
DIFM
DIGLYCOL
G152A
R152A
11DFETHN
CH2F2
11DFLETE
F150
DIHEPTYL PHTHALATE
DIHEXYL ADIPATE
DI-n-HEXYL ETHER
2,5-DIHYDROFURAN
DIIODOMETHANE
C22H34O4
C18H34O4
C12H26O
C4H6O
CH2I2
DHP
DHEXADP
DHXE
25DHYFUR
DIIM
HXETHER
HXE
DIIMETHN
CH2I2
DIISOBUTYL KETONE
DIISOBUTYL PHTHALATE
DIISOBUTYLAMINE
DIISODECYL PHTHALATE
DIISOOCTYL PHTHALATE
C9H18O
C16H22O4
C8H19N
C20H46O4
C24H38O4
DIBK
DIBPHTAT
DIBAMINE
DISC10PT
DIOP
DIBKETON
DI-ISOPENTYL ETHER
DIISOPENTYL SULFIDE
DIISOPROPANOLAMINE
m-DIISOPROPYL BENZENE HYDROPEROXIDE
DIISOPROPYL ETHER
C10H22O
C10H22S
C6H15NO2
C12H18O2
C6H14O
DIPNETHR
DIPNSULF
DIPA
MDIBZPOX
DIPE
DIPNE
DIISOPROPYL KETONE
DIISOPROPYLAMINE
m-DIISOPROPYLBENZENE
p-DIISOPROPYLBENZENE
P-DIISOPROPYLBENZENE HYDROPEROXIDE
C7H14O
C6H15N
C12H18
C12H18
C12H18O2
DIPK
DIPAMINE
MDIPBN
PDIPBN
PDIBZPOX
I-4-12
DEAMIN
DEAMN
12DEBZ
14EBENZN
DEGLYCOL
DIOPHTAT
DIIPRPAM
DDIPA
IPRETHER
IPE
DIPAH
Component Name
Formula
Library Name
DIKETENE
DIMERCAPTOETHYL ETHER
1,2-DIMETHOXYETHANE
DIMETHYL CARBONATE
DIMETHYL DISULFIDE
C4H4O2
C4H10OS2
C4H10O2
C3H6O3
C2H6S2
DIKT
DMERETR
DMEN
DMCARB
DMDS
DIKETENE
DIMETHYL ETHER
DIMETHYL ISOPHTHALATE
DIMETHYL MALEATE
DIMETHYL OXALATE
DIMETHYL PHENYL CARBINOL
C2H6O
C10H10O4
C6H8O4
C4H6O4
C9H12O
DIMETHYL PHTHALATE
2,3-DIMETHYL PYRIDINE
EGDME
12DMXETH
DMDIS
DMDSULF
DME
DMIPHTH
DMMALATE
DMOT
2P2P
DMETHER
ME
DMOXLAT
2P2PRA
2PH2PALC
C10H10O4
C7H9N
C7H9N
C7H9N
C7H9N
DMPT
23PI
24PI
25PI
34PI
DMPTAT
23DMPYRD
24DMPYRD
25DMPYRD
34DMPYRD
DIMETHYL SILANE
DIMETHYL SULFATE
DIMETHYL SULFIDE
DIMETHYL SULFOXIDE
C7H9N
C2H8Si
C2H6O4S
C2H6S
C2H6OS
35PI
DMESI
DMESULF
DMS
DMSO
35DMPYRD
DIMETHYL TEREPHTHALATE
DIMETHYLACETYLENE
DIMETHYLDIMETHOXYSILANE
DIMETHYLALUMINUM CHLORIDE
DIMETHYLAMINE
C10H10O4
C4H6
C4H12O2Si
C2H6AlCl
C2H7N
DMTPH
BTY2
DMMOS
DMEALCL
DMAM
p-DIMETHYLAMINOBENZALDEHYDE
2,6-DIMETHYLANILINE
2,3-DIMETHYL-1,3-BUTADIENE
C9H11NO
C8H11N
C6H10
PDMABZAL
26DMANLN
23DM13BD
2,2-DIMETHYLBUTANE
2,3-DIMETHYLBUTANE
C6H14
C6H14
22MB
23MB
22DMB
23DMB
2,3-DIMETHYL-1-BUTENE
DIMETHYLCHLOROSILANE
1,1-DIMETHYLCYCLOHEXANE
C6H12
C6H12
C6H12
C2H7ClSi
C8H16
23B1
23B2
33B1
DMCLSI
11CH
23M1BUTE
23M2BUTE
33M1BUTE
cis-1,2-DIMETHYLCYCLOHEXANE
trans-1,2-DIMETHYLCYCLOHEXANE
C8H16
C8H16
C8H16
C8H16
C8H16
1C2H
1C3H
1C4H
1T2H
1T3H
1C2MCH
1C3MCH
1C4MCH
1T2MCH
1T3MCH
DMPHTHAT
C2H6S
DMSULFID
DMACETLN
2BUTYNE
DMAMIN
DMAMINE
11MCH
I-4-13
Component Name
Formula
Library Name
1,1-DIMETHYLCYCLOPENTANE
cis 1,3-DIMETHYLCYCLOPENTANE
cis-1,2-DIMETHYLCYCLOPENTANE
trans 1,3-DIMETHYLCYCLOPENTANE
C8H16
C7H14
C7H14
C7H14
C7H14
1T4H
11CP
1C3M
1C2C
1T3M
1T4MCH
11MCYPNT
1C3MCP
1C2MCP
1T3MCP
trans-1,2-DIMETHYLCYCLOPENTANE
DIMETHYLDICHLOROSILANE
2,3-DIMETHYL-2,3-DIPHENYLBUTANE
DIMETHYLETHANOLAMINE
2,2-DIMETHYL-3-ETHYLPENTANE
C7H14
C2H6Cl2Si
C18H22
C4H11NO
C9H20
1T2C
DMDCLSI
DM23DPB
DMEETAM
DM3E
1T2MCP
2,2-DIMETHYLHEPTANE
2,6-DIMETHYLHEPTANE
2,6-DIMETHYL-4-HEPTANOL
2,5-DIMETHYL-1,5-HEXADIENE
C9H20
C9H20
C9H20
C9H20O
C8H14
DMEP
22HP
26HP
26DM4HP
25DM15HD
24M3EP
22DMHP
26DMHP
2,2-DIMETHYLHEXANE
2,3-DIMETHYLHEXANE
2,4-DIMETHYLHEXANE
2,5-DIMETHYLHEXANE
C8H14
C8H18
C8H18
C8H18
C8H18
25DM24HD
22HX
23HX
24HX
25HX
3,3-DIMETHYLHEXANE
3,4-DIMETHYLHEXANE
2,3-DIMETHYL-1-HEXENE
2,6-DIMETHYLNAPHTHALENE
C8H18
C8H18
C8H16
C12H12
C12H12
33HX
34HX
23DM1HX
26DMNP
27DMNP
2,2-DIMETHYLOCTANE
2,3-DIMETHYLOCTANE
2,4-DIMETHYLOCTANE
2,5-DIMETHYLOCTANE
2,6-DIMETHYLOCTANE
C10H22
C10H22
C10H22
C10H22
C10H22
22DMO
23DMOCT
24DMOCT
25DMOCT
26DMOCT
2,7-DIMETHYLOCTANE
2,2-DIMETHYLPENTANE
2,3-DIMETHYLPENTANE
2,4-DIMETHYLPENTANE
3,3-DIMETHYLPENTANE
C10H22
C7H16
C7H16
C7H16
C7H16
27DMOCT
22MP
23MP
24MP
33MP
2,2-DIMETHYL-1-PROPANOL
2,6-DIMETHYLPYRIDINE
m-DINITROBENZENE
o-DINITROBENZENE
p-DINITROBENZENE
C5H12O
C7H9N
C6H4N2O4
C6H4N2O4
C6H4N2O4
22M1
26PI
13DNBZ
12DNBZ
14DNBZ
4,4-DINITRODIPHENYLAMINE
2,4-DINITROTOLUENE
2,5-DINITROTOLUENE
2,6-DINITROTOLUENE
3,4-DINITROTOLUENE
C12H9N3O4
C7H6N2O4
C7H6N2O4
C7H6N2O4
C7H6N2O4
44DNPHAM
24DNT
25DNT
26DNT
34DNT
I-4-14
22DM3EPN
22DMHX
23DMHX
24DMHX
25DMHX
33DMHX
34DMHX
22DMP
23DMP
24DMP
33DMP
22M1PRNL
26DMPYRD
22M1PRA
22M1PALC
Component Name
Formula
Library Name
3,5-DINITROTOLUENE
4,4-DINITROTRIPHENYLAMINE
DINONYL ETHER
DI-n-NONYL PHTHALATE
DINONYLPHENOL
C7H6N2O4
C18H13N3O4
C18H38O
C26H42O4
C24H42O
35DNT
44DNTPAM
DNONETH
DNP
DC9PHEN
DI-n-OCTYL ETHER
DIOCTYL PHTHALATE
DIOCTYL PHTHALATE
DIOCTYL TEREPHTHALATE
DIOCTYLSODIUM SULFOSUCCINATE
C16H34O
C24H38O4
C24H38O4
C24H38O4
C20H37NaO7S
DOCTE
DOP
D2EHPHAT
DOTERP
DONASSUC
1,3-DIOXANE
1,4-DIOXANE
DI-n-PENTYL ETHER
DIPHENYL ETHER
DIPHENYLACETYLENE
C4H8O2
C4H8O2
C10H22O
C12H10O
C14H10
13DIOXAN
DOXN
DPNE
DPHE
DPHACET
DIPHENYLAMINE
1,1-DIPHENYLETHANE
1,2-DIPHENYLETHANE
DIPHENYLMETHANE
DIPHENYLMETHANE-4,4-DIISOCYANATE
C12H11N
C14H14
C14H14
C13H12
C15H10N2O2
DPHAMINE
DPHENET
12DPHNLE
DPHM
DPM44DCN
2,4-DIPHENYL-4-METHYLPENTENE-1
1,3-DIPHENYLTRIAZENE
DIPOTASSIUM PHOSPHATE
DI-n-PROPYL ETHER
DIPROPYL KETONE
C18H20
C12H11N3
HK2O4P
C6H14O
C7H14O
24DPH4MP
13DPTZN
DPOPHOS
DPRE
DPRK
DIPROPYL MALEATE
DIPROPYL PHTHALATE
DI-n-PROPYL SULFIDE
DI-n-PROPYL SULFONE
DI-n-PROPYLAMINE
C10H16O4
C14H18O4
C6H14S
C6H14O2S
C6H15N
DPMALATE
DPPHTH
DPRS
DPSULFON
DPAM
DI-n-PROPYLDISULFIDE
DIPROPYLENE GLYCOL
DIPROPYLENE GLYCOL MONOMETHYL ETHER
ACETATE
DIPROPYLENE GLYCOL t-BUTYL ETHER
C6H14S2
C6H14O3
C7H16O3
C9H18O4
C10H22O3
DPDSULFD
DIPRPGLY
DPGME
DPGMEACE
DPGTBE
DISILANE
DISODIUM PHOSPHATE
DIVINYL ETHER
m-DIVINYLBENZENE
D-LIMONENE
H6Si2
HNa2O4P
C4H6O
C10H10
C10H16
DISILANE
DNAPHOS
VNET
MDVBNZN
DLIMENE
DOPHTH
14DIOXAN
DPNETHR
DPHETHER
TOLANE
DPHMETHN
DPRAMIN
DPRAMINE
VINETH
VIETHER
I-4-15
Component Name
Formula
Library Name
DOCOSANE
DODECAMETHYL PENTASILOXANE
DODECAMETHYLCYCLOHEXASILOXANE
1-DODECANAL
n-DODECANE
C22H46
C12H36O4Si5
C12H36O6Si6
C12H24O
C12H26
DOCOSAN
NC22
DDMPSN
DDMCHSLN
C12ALD
DODECAL
DDEC
DODECANE
n-DODECANOIC ACID
1-DODECANOL
1-DODECENE
n-DODECYL MERCAPTAN
tert-DODECYL MERCAPTAN
C12H24O2
C12H26O
C12H24
C12H26S
C12H26S
DDAC
DODA
DDC1
C12SH
TC12SH
LAURIC
DODECNOL
1DODECEN
C12THIOL
DODECYLAMINE
n-DODECYLBENZENE
DODECYLCYCLOPENTANE
n-DOTRIACONTANE
DOWTHERM A
C12H27N
C18H30
C17H34
C32H66
MIXTURE
C12AMINE
DDBZ
DDCP
NC32
DTA
LAURAM
DODBNZ
DDCYPNTN
DOWA
DOWTHRMA
DOWTHERM G
DOWTHERM HT
DOWTHERM J
DOWTHERM LF
n-EICOSANE
MIXTURE
MIXTURE
MIXTURE
MIXTURE
C20H42
DTG
DTHT
DTJ
DTLF
EICS
DOWG
DOWHT
DOWJ
DOWLF
EICOSANE
DOWTHRMG
DOWTHHT
DOWTHRMJ
DOWTHLF
NC20
n-EICOSANIC ACID
1-EICOSANOL
1-EICOSENE
alpha-EPICHLOROHYDRIN
1,2-EPOXYBUTANE
C20H40O2
C20H42O
C20H40
C3H5ClO
C4H8O
C20ACID
1EIC
1EICOSE
EPCH
1BTO
1EICNOL
1EICLALC
1,2-EPOXY-2-METHYLPROPANE
2,3-EPOXY-1-PROPANOL
ETHANE
1,2-ETHANE DIPHOSPHONIC ACID
1,2-ETHANEDITHIOL
C4H8O
C3H6O2
C2H6
C2H8O6P2
C2H6S2
ISOBUTOX
GLYCIDE
ETHANE
DC2DPHAC
12EDTHIO
ETHANOL
2-ETHOXYETHANOL
2-(2-ETHOXYETHOXY)ETHANOL
2-ETHOXYETHYL ACETATE
ETHYL ACETATE
C2H6O
C4H10O2
C6H14O3
C6H12O3
C4H8O2
ETHYL ACETOACETATE
3-ETHYL ACROLEIN
ETHYL ACRYLATE
ETHYL ALLYL ETHER
ETHYL ALUMINUM SESQUICHLORIDE
I-4-16
NC12
HDDAC
DODECALC
HODDAC
1CL23EPP
12EPC4
ETHN
C2
ETHANOL
EXEA
DEGMEE
EEAT
EOAC
ETOH
2EXETHNL
EA
CELSLV
CELSLVAT
ETOAC
2EXEACTT
EACTAT
C6H10O3
OEBT
3OEBRT
EACACTAT
C5H8O
C5H8O2
C5H10O
C6H15Al2Cl3
3ECR
EACR
EALLE
EASESCL
EACRLN
ETACA
3EACROLN
EACRLAT
EHXAALC
2EXEALC
Component Name
Formula
Library Name
ETHYL BENZOATE
ETHYL BUTYL KETONE
ETHYL n-BUTYRATE
ETHYL-t-BUTYL SULFIDE
2-ETHYL BUTYRIC ACID
C9H10O2
C7H14O
C6H12O2
C6H14S
C6H12O2
EBOA
EBK
BACA
ETBS
DEAA
EBZOAT
EBENZOAT
BUACA
EBTYRAT
EBAT
ETHYL CHLORIDE
ETHYL CHLOROFORMATE
ETHYL CYANOACETATE
ETHYL FLUORIDE
ETHYL FORMATE
C2H5Cl
C3H5ClO2
C5H7NO2
C2H5F
C3H6O2
CLE
ETCLFORM
ETCYNAC
ETFL
ETFO
CLETHANE
2-ETHYL HEXANOIC ACID

ETHYL-n-HEXYL ETHER
ETHYL IODIDE
ETHYL ISOBUTYRATE
ETHYL ISOPROPYL ETHER
C8H16O2
C8H18O
C2H5I
C6H12O2
C5H12O
2EHXNOIC
EHXE
EIOD
EIBU
EIPE
ETOIBU
EIBRAT
EIBT
ETHYL ISOPROPYL KETONE

ETHYL ISOVALERATE
ETHYL LACTATE
ETHYL MERCAPTAN
ETHYL METHACRYLATE
C6H12O
C7H14O2
C5H10O3
C2H6S
C6H10O2
EIPK
EISVALRT
ETLACT
ETSH
EMACRLAT
ETHIOL
EMCAPT
ETHYL NONANOATE
ETHYL OCTANOATE
ETHYL tert-PENTYL ETHER
ETHYL PROPIONATE
ETHYL PROPYL ETHER
C11H22O2
C10H20O2
C7H16O
C5H10O2
C5H12O
ENONNOAT
EOCTNOAT
ETPE
EPRT
EPE
ETOPR
EPRETHER
EPRPNAT
ETHYL VALERATE
ETHYL VANILLIN
ETHYL VINYL ETHER
ETHYL-3-ETHOXYPROPIONATE
ETHYLACETYLENE
C7H14O2
C9H10O3
C4H8O
C7H14O3
C4H6
EVALERAT
EVANILLN
VEE
E3EP
BTY1
VEETHER
E3EPAT
EACETYLN
ETHYLAMINE
4-ETHYLANILINE
o-ETHYLANILINE
ETHYLBENZENE
ETHYLBENZENE HYDROPEROXIDE
C2H7N
C8H11N
C8H11N
C8H10
C8H10O2
EAMN
4EANLN
OEANILIN
EBZN
EBHYPROX
2-ETHYL-1-BUTANOL
2-ETHYL-1-BUTENE
C6H14O
C6H12
2E1BALC
2EB1
2E1BUTEN
ETHYLCHLOROACETATE
1,5-ETHYLCYCLOHEXADIENE
ETHYLCYCLOHEXANE
ETHYLCYCLOPENTANE
ETHYLENE
C4H7ClO2
C8H12
C8H16
C7H14
C2H4
ETCLACET
15ED
ECH
ECP
ETLN
15ECHXD
ECYHXN
ECYCPNTN
ETHYLENE
2EBUACID
EFLUORID
EFORMAT
E3EXPRAT
1BUTYNE
EAMINE
EBENZENE
ETHENE
I-4-17
Component Name
Formula
Library Name
ETHYLENE CARBONATE
ETHYLENE GLYCOL
ETHYLENE GLYCOL DIACETATE
ETHYLENE GLYCOL DIACRYLATE
ETHYLENE GLYCOL DI-n-BUTYL ETHER
C3H4O3
C2H6O2
C6H10O4
C8H10O4
C10H22O2
ETLNCARB
EG
EGDIACT
EGDACRYL
EGDBE
ETHYLENE GLYCOL DIETHYL ETHER

ETHYLENE GLYCOL 2-ETHYLHEXYL ETHER
ETHYLENE GLYCOL DINITRATE
ETHYLENE GLYCOL MONO-n-HEXYL ETHER
ETHYLENE GLYCOL MONOPROPYL ETHER
C6H14O2
C10H22O2
C2H4N2O6
C8H18O2
C5H12O2
EGDEE
EG2EHE
EGDNIT
EGMHXE
EGMPRE
ETHYLENE OXIDE
ETHYLENEDIAMINE
ETHYLENEDIAMINETETRAACETIC ACID
ETHYLENEIMINE
3-ETHYLHEPTANE
C2H4O
C2H8N2
C10H16N2O8
C2H5N
C9H20
EO
ENDM
EDATAA
ENIM
3EHP
2-ETHYLHEXANAL
3-ETHYLHEXANE
2-ETHYL-1-HEXANOL
2-ETHYL-1-HEXENE
2-ETHYLHEXYL ACETATE
C8H16O
C8H18
C8H18O
C8H16
C10H20O2
2EHEXAL
3EHX
EHXA
2EH1
EHAC
3EHXAN
2EHEXNOL
2E1HEXEN
EHOAC
2-ETHYLHEXYL ACRYLATE
ETHYLIDENE ACETONE
ETHYLIDENE DIACETATE
1-ETHYLNAPHTHALENE
2-ETHYLNAPHTHALENE
C11H20O2
C5H8O
C6H10O4
C12H12
C12H12
EHAA
MPPK
EDDT
1ENP
2ENP
EHOACA
ETIDDMK
EDDACT
1ENAPHTH
2ENAPHTH
ETHYNYLBENZENE
3-ETHYLPENTANE
2-ETHYL-1-PENTENE
3-ETHYL-1-PENTENE
m-ETHYLPHENOL
C8H6
C7H16
C7H14
C7H14
C8H10O
PHACETYL
3EPN
2EP1
3EP1
MEPH
o-ETHYLPHENOL
p-ETHYLPHENOL
2-ETHYLPYRIDINE
4-ETHYLPYRIDINE
ETHYLTHIOETHANOL
C8H10O
C8H10O
C7H9N
C7H9N
C4H10OS
OEPH
PEPH
2EPYRD
4EPYRD
ETHIOET
OEPHENOL
PEPHENOL
m-ETHYLTOLUENE
o-ETHYLTOLUENE
p-ETHYLTOLUENE
2-ETHYL-m-XYLENE
2-ETHYL-p-XYLENE
C9H12
C9H12
C9H12
C10H14
C10H14
M3EZ
M2EZ
M4EZ
2EMXYL
2EPXYL
1M3EBNZN
1M2EBNZN
1M4EBNZN
3-ETHYL-o-XYLENE
4-ETHYL-m-XYLENE
4-ETHYL-o-XYLENE
5-ETHYL-m-XYLENE
C10H14
C10H14
C10H14
C10H14
12DM3EBZ
4EMXYL
4EOXYL
5EMXYL
I-4-18
13DIO2ON
ETLNGLYC
DOWTSR1
EOXIDE
ETLNDAM
ETOX
ETLDAMIN
ETHNIMIN
3EHEPT
2EHXALC
EHA
2EHACTAT
2EHACRAT
EDDACTAT
3EPENT
MEPHENOL
Component Name
Formula
Library Name
FERRIC OXIDE
Fe2O3
FE2O3
FERROUS OXIDE
FERROUS SULFATE
FLUORANTHENE
FLUORENE
FLUORINE
FeO
FeO4S
C16H10
C13H10
F2
FEO
FESO4
FLUANTHE
FLUORENE
F2
FLUOROBENZENE
1-FLUORONAPHTHALENE
2-FLUOROTOLUENE
3-FLUOROTOLUENE
4-FLUOROTOLUENE
C6H5F
C10H7F
C7H7F
C7H7F
C7H7F
FBZ
1FNAPH
OFTOL
MFTOL
PFTOL
FLUOSULFONIC ACID
FORMALDEHYDE
FORMAMIDE
FORMANILIDE
FORMIC ACID
FHO3S
CH2O
CH3NO
C7H7NO
CH2O2
FUMARIC ACID
FURAN
FURFURAL
FURFURYL ALCOHOL
FLUORINE
C6H5F
FBENZENE
HFSO3
FOH
FRMD
FORMALID
HFOR
FRALD
FRMAMD
PHFAMIDE
FORMIC
FORMALD
FORMAMID
C4H4O4
C4H4O
C5H4O2
C5H6O2
HOFU
FRAN
FALD
2HMF
FUMACID
FURAN
FURAL
FUROH
FUMARIC
FURFURAL
2FRALD
GALLIUM TRICHLORIDE
GERMANIUM
GERMANIUM TETRAHYDRIDE
GLUTARIC ACID
GLUTARIC ANHYDRIDE
Cl3Ga
Ge
GeH4
C5H8O4
C5H6O3
GACL3
GERMANM
GEH4
HGLT
GLUAN
GLUTARIC
GLTRACID
HOGLT
GLUTARALDEHYDE
GLUTARONITRILE
GLYCEROL
GLYCERYL TRIACETATE
GLYCINE
C5H8O2
C5H6N2
C3H8O3
C9H14O6
C2H5NO2
GLUTALD
GLUTNTRL
GLOL
123PTOLA
GLYCINE
GLYCEROL
GLYTRIAC
GLYCERIN
GLYCOLIC ACID
GLYOXAL
GUAIACOL
HALOTHANE
HELIUM-3
C2H4O3
C2H2O2
C7H8O2
C2HBrClF3
He
GLYCOLAC
GLXL
GUAIACOL
HALO
HELIUM3
GLYXAL
GLYOXAL
HELIUM-4
HENEICOSANE
n-HEPTACOSANE
n-HEPTADECANE
n-HEPTADECANOIC ACID
He
C21H44
C27H56
C17H36
C17H34O2
HE
NC21
NC27
HPDC
C17ACID
HE4
HENEICOS
HELIUM
HDECANE
MARGARIC
NC17
1-HEPTADECANOL
1-HEPTADECENE
n-HEPTADECYLBENZENE
C17H36O
C17H34
C23H40
HPDA
HPD1
C17BENZ
HPDECNOL
HPDECALC
FORMACID
HCOOH
HALOTHAN
HELIUM4
I-4-19
Component Name
Formula
Library Name
1-HEPTANAL
n-HEPTANE
C7H14O
C7H16
HEPTANAL
HEPTANE
n-HEPTANOIC ACID
1-HEPTANOL
2-HEPTANOL
2-HEPTANONE
1-HEPTENE
C7H14O2
C7H16O
C7H16O
C7H14O
C7H14
HPTANOIC
HPTA
2HPTANOL
MPNK
HPT1
cis-2-HEPTENE
cis-3-HEPTENE
trans-2-HEPTENE
trans-3-HEPTENE
HEPTYL ACETATE
C7H14
C7H14
C7H14
C7H14
C9H18O2
HEPTENE2
HPT3
T2HEP
T3HP
HPACTAT
HEPTYL BUTYRATE
HEPTYL FORMATE
n-HEPTYL MERCAPTAN
HEPTYL PROPIONATE
HEPTYL VALERATE
C11H24O2
C8H16O2
C7H16S
C10H20O2
C12H24O2
HPBUTRAT
HPFORMT
HP1THIOL
HPPRNT
HPVALRAT
n-HEPTYLBENZENE
HEPTYLCYCLOPENTANE
1-HEPTYNE
HEXACHLOROBENZENE
HEXACHLORO-1,3-BUTADIENE
C13H20
C12H24
C7H12
C6Cl6
C4Cl6
C7BZ
HPCP
1HEPTYNE
HCBZ
PCBD
HEXACHLOROCYCLOPENTADIENE
HEXACHLOROETHANE
n-HEXACOSANE
HEXADECAMETHYL HEPTASILOXANE
n-HEXADECANE
C5Cl6
C2Cl6
C26H54
C16H48O6Si7
C16H34
HXCLCPD
PCET
NC26
HDMHSLN
HXDC
n-HEXADECANOIC ACID
1-HEXADECANOL
1-HEXADECENE
n-HEXADECYLBENZENE
HEXADECYLCYCLOPENTANE
C16H32O2
C16H34O
C16H32
C22H38
C21H42
C16ACID
HXDECNOL
HDC1
C16BENZ
HDCP
1,2-HEXADIENE
1,4-HEXADIENE
1,5-HEXADIENE
cis,trans-2,4-HEXADIENE
trans,trans-2,4-HEXADIENE
C6H10
C6H10
C6H10
C6H10
C6H10
12HD
14HD
15HD
CT24HDIE
24HD
n-HEXATRIACONTANE
HEXAFLUOROACETONE
HEXAFLUOROBENZENE
HEXAFLUOROETHANE
HEXAFLUOROPROPYLENE
C36H74
C3F6O
C6F6
C2F6
C3F6
NC36
PFDMK
C6F6
R116
C3F6
I-4-20
NC7
HEPT
C7ACID
HEPTANOL
HEPTALC
1HEPTENE
C3HEPTEN
HPCYPT
C6CL6
C4CL6
HXCLBENZ
HXCL13BD
C2CL6
HXCLETHN
HXDECANE
NC16
PALMITIC
1HXDECEN
HXDCYPNT
15HXDIEN
24HXDIEN
C3F6O
PFBENZN
F116
PFPRLN
PFBZ
PFETHANE
HFBZ
C2F6PFET
Component Name
Formula
Library Name
HEXAMETHYL PHOSPHORAMIDE
HEXAMETHYLCYCLOTRISILOXANE
HEXAMETHYLDISILAZANE
HEXAMETHYLDISILOXANE
HEXAMETHYLENEDIAMINE
C6H18N3OP
C6H18O3Si3
C6H19NSi2
C6H18OSi2
C6H16N2
HMPHSAMD
HMETCYSI
HMEDSILZ
HMSLOXAN
HMDA
HXMDAM
HEXAMETHYLENEIMINE
HEXAMETHYLENETETRAMINE
1-HEXANAL
n-HEXANE
1,6-HEXANEDIOL
C6H13N
C6H12N4
C6H12O
C6H14
C6H14O2
HXMNIMIN
HMTETAMN
CAPALD
HEXANE
16HXDIOL
HEXANENITRILE
HEXANE-2-THIOL
n-HEXANOIC ACID
1-HEXANOL
2-HEXANOL
C6H11N
C6H14S
C6H12O2
C6H14O
C6H14O
CAPNTRL
HX2THIOL
HCAP
HXA
2HEXANOL
2-HEXANONE
3-HEXANONE
1-HEXENE
cis-2-HEXENE
cis-3-HEXENE
C6H12O
C6H12O
C6H12
C6H12
C6H12
MBK
EPK
HXE1
HXC2
HXC3
trans-2-HEXENE
trans-3-HEXENE
n-HEXYL ACETATE
HEXYL BUTYRATE
HEXYL FORMATE
C6H12
C6H12
C8H16O2
C10H20O2
C7H14O2
HXT2
HXT3
HXACTAT
HXBUTRAT
HXFORMAT
HEXYL PROPIONATE
HEXYL VALERATE
n-HEXYLAMINE
n-HEXYLBENZENE
HEXYLCYCLOPENTANE
C9H18O2
C11H22O2
C6H15N
C12H18
C11H22
HXPRNT
HXVALRAT
HXAMINE
HXBNZN
HXCP
HEXYLENE GLYCOL
n-HEXYLMERCAPTAN
1-n-HEXYLNAPHTHALENE
2-HEXYLNAPHTHALENE
1-n-HEXYL-1,2,3,4-TETRAHYDRONAPHTHALENE
C6H14O2
C6H14S
C16H20
C16H20
C16H24
HXG
HX1THIOL
1HNP
2HNP
NC6THNP
1-HEXYNE
2-HEXYNE
3-HEXYNE
HYDRACRYLONITRILE
HYDRAZINE
C6H10
C6H10
C6H10
C3H5NO
H4N2
1HEXYNE
2HEXYNE
3HEXYNE
HYAN
N2H4
HYDACRNI
HYDRAZIN
HYDRAZOBENZENE
HYDROGEN
HYDROGEN BROMIDE
HYDROGEN CHLORIDE
HYDROGEN CYANIDE
C12H12N2
H2
HBr
HCl
CHN
HYAZBZ
H2
HBR
HCL
HCN
HYDROGEN
HYBROMID
HYCHLORD
HYCYANID
HXMDAMIN
HEXANAL
HXAN
NC6
HEXANOIC
HEXANOL
CAPRACID
HEXLALC
CAPROIC
1HEXENE
C2HEXENE
C3HEXENE
T2HEXENE
T3HEXENE
C6AMINE
HXCYPNT
HEXLNGLY
1HXNAPHT
2HXNAPHT
I-4-21
Component Name
Formula
Library Name
HYDROGEN DEUTERIDE
HYDROGEN FLUORIDE
HYDROGEN IODIDE
HYDROGEN PEROXIDE
HYDROGEN SELENIDE
HD
HF
HI
H2O2
H2Se
HD
HF
HI
H2O2
SELANE
HYDROGEN SULFIDE
HYDROGEN(PARA)
3-HYDROXY-2-METHYL PROPIONALDEHYDE
p-HYDROQUINONE
p-HYDROXY BENZALDEHYDE
H2S
H2
C4H8O2
C6H6O2
C7H6O2
H2S
H2PARA
BHISBALD
14BZDIOL
PHYDBZA
HYDROXYACETONITRILE
2-HYDROXYACETOPHENONE
4-HYDROXYBUTYRALDEHYDE
2-HYDROXYETHYL METHACRYLATE
C2H3NO
C8H8O2
C8H8O2
C4H8O2
C6H10O3
GLYCNITR
2HACPH
4HACPH
GMOXBALD
2HEMA
6-HYDROXYHEXANOIC ACID
HYDROXYCAPROIC ACID
2-HYDROXYETHYL ACRYLATE
HYDROXYLAMINE
HYDROXYLAMINE HYDROCHLORIDE
C6H12O3
C6H12O3
C5H8O3
H3NO
ClH4NO
6HOXC6OH
HYOXCAPR
2HYACRL
HYDROAM
HYDAMHCL
4-HYDROXYSTYRENE
8-HYDROXYQUINOLINE
HYPOCHLOROUS ACID
HYPOPHOSPHOROUS ACID
IBUPROFEN
C8H8O
C9H7NO
ClHO
H3O2P
C13H18O2
4HSTYREN
8HYOXQUN
HCLO
H3PO2
IBUPROFN
2,2-IMINOBIS-ACETONITRILE
INDANE
INDENE
INDOLE
INOSITOL
C4H5N3
C9H10
C9H8
C8H7N
C6H12O6
DENITRAM
INDAN
INDE
INDOLE
INOSITOL
IODINE
IODOBENZENE
1-IODOBUTANE
2-IODOBUTANE
IRON
I2
C6H5I
C4H9I
C4H9I
Fe
I2
IBZ
1IBUTAN
2IBUTAN
IRON
IODINE
C6H5I
ISOBUTANE
ISOBUTANOL
ISOBUTENE
ISOBUTYL ACETATE
ISOBUTYL ACRYLATE
C4H10
C4H10O
C4H8
C6H12O2
C7H12O2
IC4
IBA
IBTE
IBAC
ISOBACR
ISOBUTAN
IBUOH
ISOBUTEN
IBUAC
IBUTANE
IBUTALC
IBUTENE
IBACTAT
ISOBUTYL BUTYRATE
ISOBUTYL CHLORIDE
ISOBUTYL FORMATE
ISOBUTYL ISOBUTYRATE
C8H16O2
C4H9Cl
C5H10O2
C8H16O2
IBBUTRAT
ISOBUTCL
IBFT
IBIBTRAT
IBUOFO
IBFORMAT
I-4-22
HYFLUORD
HYIODIDE
HYPEROXD
HYSULFID
PHYDQ
INDANE
INDENE
BZPYROL
IBENZENE
FE
2MPR
IBUTANOL
Component Name
Formula
Library Name
ISOBUTYL MERCAPTAN
ISOBUTYL METHACRYLATE
ISOBUTYL PROPIONATE
ISOBUTYL VALERATE
ISOBUTYLAMINE
C4H10S
C8H14O2
C7H14O2
C9H18O2
C4H11N
IBSH
IBMACRLA
IBUPRNAT
IBVALRAT
IBAM
ISOBUTYLBENZENE
ISOBUTYLCYCLOHEXANE
ISOBUTYRALDEHYDE
ISOBUTYRIC ACID
ISOBUTYRONITRILE
C10H14
C10H20
C4H8O
C4H8O2
C4H7N
IBBZ
IBCH
IBUH
HIBU
2MPRNIT
4-ISOBUTYLSTYRENE
ISODECANOL
ISOHEPTANOL
ISOMESITYL OXIDE
ISOPENTANE
C12H16
C10H22O
C7H16O
C6H10O
C5H12
ISOPENTYL ACETATE
ISOPENTYL FORMATE
ISOPENTYL ISOVALERATE
ISOPHORONE
ISOPHORONEDIAMINE
IBAMIN
IBAMINE
IBBENZEN
IBCYHXAN
IBALD
IBUTYRIC
IBUTALD
IBUTACID
HOIBUT
4IBUTSTY
IDECANOL
IHPTANOL
IMO
2MB
IMESOXID
ISOPNTAN
IPENTANE
IC5
C7H14O2
C6H11O2
C10H20O2
C9H14O
C10H22N2
IPNACTAT
IPNFORMT
IPIVALRT
IPHR
IPDA
IPHORONE
IPDAMN
IPHRDAMN
ISOPHTHALIC ACID
ISOPHTHALOYL CHLORIDE
ISOPRENE
ISOPROPANOL
ISOPROPENYL ACETATE
C8H6O4
C8H4Cl2O2
C5H8
C3H8O
C5H8O2
IPHTHLIC
IPHOYCL
IPRN
IPA
IPPA
ISOPRENE
IPROPNOL
IPRPOAC
2PROPNOL
IPPACTAT
p-ISOPROPENYLSTYRENE
ISOPROPYL ACETATE
ISOPROPYL BUTYL ETHER
ISOPROPYL CHLORIDE
4-ISOPROPYL DIPHENYL
C11H12
C5H10O2
C7H16O
C3H7Cl
C15H16
PISOPRST
IPAC
IPBE
2CLP
4IPDPH
IPROAC
IPACTAT
ISOPROPYL IODIDE
ISOPROPYL ISOBUTYL ETHER
ISOPROPYL MYRISTATE
ISOPROPYLAMINE
ISOPROPYLCYCLOHEXANE
C3H7I
C7H16O
C17H34O2
C3H9N
C9H18
2IPRPAN
IPIBE
ISOPMYRI
IPAM
IPCH
ISOPROPYLCYCLOPENTANE
ISOQUINOLINE
ISOVALERIC ACID
ITACONIC ACID
KETENE
C8H16
C9H7N
C5H10O2
C5H6O4
C2H2O
IPCP
IQUINOLN
HIVA
ITACONIC
KETN
IPRCYCPN
KRYPTON
LACTIC ACID
LACTONITRILE
LEVULINIC ACID
L-GLUTAMIC ACID
Kr
C3H6O3
C3H5NO
C5H8O3
C5H9NO4
KR
HLAC
LCNL
HLEV
GLUTAMIC
KRYPTON
HOLAC
LACNITRL
LEVULNIC
IPRPALC IPROH
2CLPRP
IPRAMIN
IPRAMINE
IVALERIC
KETENE
LACTIC
LACACID
LEVULAC
HOLEV
I-4-23
Component Name
Formula
Library Name
LINOLEIC ACID
LINOLENIC ACID
LITHIUM
L-MENTHOL
LYSINE
C18H32O2
C18H30O2
Li
C10H20O
C6H14N2O2
LINOLEIC
LINOLENI
LITHIUM
MENTHOL
LYSINE
MAGNESIUM NITRATE
MAGNESIUM OXIDE
MAGNESIUM SULFATE
MALATHION
MALEIC ACID
MgN2O6
MgO
MgO4S
C10H19O6PS2
C4H4O4
MGNITR
MGO
MGSO4
MALTHION
HOMA
MALEIC ANHYDRIDE
MALIC ACID
MALONIC ACID
MALONONITRILE
M-DIBROMOBENZENE
C4H2O3
C4H6O5
C3H4O4
C3H2N2
C6H4Br2
MANH
MALIC
MALONIC
MALONTRL
13DBRBNZ
MELAMINE
p-MENTHANE HYDROPEROXIDE
2-MERCAPTOBENZOTHIAZOLE
2-MERCAPTOETHANOL
3-MERCAPTOPROPIONIC ACID
C3H6N6
C10H20O2
C7H5NS2
C2H6OS
C3H6O2S
MELAMINE
PMHYPROX
2MBSTHZL
2MERETOH
MERPRO
MERCURY
MESITYL OXIDE
MESITYLENE
METHACROLEIN
2-METHACRYLAMIDE
Hg
C6H10O
C9H12
C4H6O
C4H7NO
MERCURY
MO
135Z
MACR
2MEAMIDE
METHACRYLIC ACID
METHACRYLONITRILE
METHANE
METHANESULFONIC ACID
METHANOL
C4H6O2
C4H5N
CH4
CH4O3S
CH4O
HOME
MACRLNIT
METHANE
MESULON
METHANOL
METHOXYACETIC ACID
2-METHOXYETHANOL
2-(2-METHOXYETHOXY)ETHANOL
2-METHOXYETHYL ACETATE
3-METHOXYPHENOL
C3H6O3
C3H8O2
C5H12O3
C5H10O3
C7H8O2
METOXYAC
MXEA
DEGMME
MXET
MOXYPHL
p-METHOXYPHENOL
3-METHOXYPROPIONITRILE
METHYL ACETATE
METHYL ACETOACETATE
METHYL ACRYLATE
C7H8O2
C4H7NO
C3H6O2
C5H8O3
C4H6O2
PMEOXPHN
3MOXYNIT
MEAC
MEACACT
MACA
METHYL BENZOATE
METHYL BROMIDE
METHYL sec-BUTYL ETHER
METHYL sec-BUTYL KETONE
C8H8O2
CH3Br
C5H12O
C5H12O
C6H12O
MOBZ
MEBR
MSBE
MTBE
MSBK
I-4-24
MALEACID
MALEIC
MALEANHD
MANHYD
MDBRBNZ
MESOXD
135MBENZ
MACRLN
MACROLN
MEACRIC
CH4
METH
C1
MA
MEOH
METHALC
2MXEA
2MXETHNL
2MXEAT
MACTAT
MEACA
MACRYLAT
MOBZAT
CH3BR
MBENZOAT
MBROMID
METHLTBE
Component Name
Formula
Library Name
METHYL tert-BUTYL KETONE

METHYL n-BUTYRATE
METHYL CAPROATE
METHYL CHLORIDE
METHYL CHLOROACETATE
C6H12O
C5H10O2
C7H14O2
CH3Cl
C3H5ClO2
MTBK
MEBU
MXHN
MECL
MCLA
METHYL CHLOROFORMATE
METHYL CHLOROSILANE
METHYL CYANOACETATE
METHYL DECANOATE
METHYL DICHLOROSILANE
C2H3ClO2
CH5ClSi
C4H5NO2
C11H22O2
CH4Cl2Si
MECLFORM
MECLSI
MECYAC
MDECOATE
MEDCLSI
METHYL DODECANOATE
METHYL ETHANOLAMINE
METHYL ETHYL ETHER
METHYL ETHYL KETONE
C5H13NO2
C13H26O2
C3H9NO
C3H8O
C4H8O
METHYL ETHYL SULFIDE

METHYL FLUORIDE
METHYL FORMATE
METHYL IODIDE
METHYL ISOBUTYL ETHER
MBTRAT
MXHNON
CH3CL
MECLACET
MXHXANON
CLMETHN
MDEA
MLAURATE
MEETAM
MEE
MEK
NMDEA
MDEAH
C3H8S
CH3F
C2H4O2
CH3I
C5H12O
MESD
MEFL
MFOR
CH3I
MIBE
MESULFID
R41
MEOFO
METHIOD
METHYL ISOBUTYL KETONE

METHYL ISOBUTYRATE
METHYL ISOCYANATE
METHYL ISOPROPENYL KETONE
METHYL ISOPROPYL ETHER
C6H12O
C5H10O2
C2H3NO
C5H8O
C4H10O
MIBK
MIBT
MICT
MIPP
MIPE
MIBKETON
MEIBU
CH3NCO
MIPPKET
METHYL ISOPROPYL KETONE

METHYL LACTATE
METHYL MERCAPTAN
METHYL METHACRYLATE
8-METHYL-1-NONANOL
C5H10O
C4H8O3
CH4S
C5H8O2
C10H22O
MIPK
MLACTATE
CH4S
MMAC
8M1C9OH
MIPKETON
METHYL OLEATE
METHYL PROPIONATE
METHYL PROPYL ETHER
METHYL SALICYLATE
C19H36O2
C6H14O
C4H8O2
C4H10O
C8H8O3
MOLEATE
MTAE
MOPR
MPE
MSAT
METHYL SILANE
3-METHYL SULFOLANE
METHYL TRICHLOROSILANE
METHYL VALERATE
METHYL VINYL ETHER
CH6Si
C5H10O2S
CH3Cl3Si
C6H12O2
C3H6O
MESIL
3MSULFLN
METCLSI
MVALERAT
VME
VMETHER
METHYL-3-METHOXY PROPIONATE
METHYL-n-HEPTYL KETONE
METHYLACETYLENE
METHYLAL
METHYLAMINE
C5H10O3
C9H18O
C3H4
C3H8O2
CH5N
MMXP
MHPK
PRPY
DMMN
MAMN
M3MXPT
MHPKETON
PROPYNE
METHYLAL
MAMINE
MCAPROAT
MEETHER
2BUTANON
MFLUORID
MFORMAT
IMETHAN
CH3FF41
MIBTRAT
MISOCYNT
MMRCAPTN
MEMEACA
METHIOL
MMACRLAT
TAME
MEOPR
MPRPNAT
MMCAPT
MSLICLAT
M3MXPRAT
MACETYLN
DMXMETHN
I-4-25
Component Name
Formula
Library Name
alpha-METHYLBENZYL ALCOHOL
2-METHYLBENZOFURAN
2-METHYLBUTANE-2-THIOL
2-METHYL-1-BUTANOL
C8H10O
C9H8O
C5H8
C5H12S
C5H12O
1PHEA
2MBZFUR
M12B
2MB2THL
2M1B
3M12BD
2M1BTNOL
2M1BA
2M1BUALC
2-METHYL-2-BUTANOL
3-METHYL-1-BUTANOL
3-METHYL-2-BUTANOL
2-METHYL-1-BUTENE
2-METHYL-2-BUTENE
C5H12O
C5H12O
C5H12O
C5H10
C5H10
2M2B
3M1B
3M2B
2BT1
2BT2
2M2BTNOL
3M1BTNOL
3M2BTNOL
2M1BUTEN
2M2BUTEN
2M2BUALC
3M1BA
3M2BUALC
3M1BUALC
3-METHYL-1-BUTENE
2-METHYL-1-BUTENE-3-YNE
3-METHYL-1-BUTYNE
METHYL-n-BUTYL ETHER
METHYL-n-BUTYL SULFIDE
C5H10
C5H6
C5H8
C5H12O
C5H12S
3BT1
2M1B3YNE
3M1BTYNE
MBE
MBSD
3M1BUTEN
METHYL-t-BUTYL SULFIDE
2-METHYLBUTYRIC ACID
METHYLCYCLOHEPTANE
METHYLCYCLOHEXANE
1-METHYLCYCLOHEXANOL
C5H12S
C5H10O2
C8H16
C7H14
C7H14O
MTSD
MBUTACID
MCHPTAN
MCH
1MCHXNOL
cis-2-METHYLCYCLOHEXANOL
trans-2-METHYLCYCLOHEXANOL
C7H14O
C7H14O
C7H14O
C7H14O
C7H14O
C2MCHXNL
C3MCHXNL
C4MCHXNL
T2MCHXNL
T3MCHXNL
METHYLCYCLOPENTADIENE
METHYLCYCLOPENTANE
1-METHYLCYCLOPENTENE
C7H14O
C6H8
C6H12
C6H10
C6H10
T4MCHXNL
MCYPD
MCP
1MCPEN
3MCPEN
METHYLCYCLOPROPANE
1-METHYL-1-ETHYLCYCLOPENTANE
1-METHYL-cis-2-ETHYLCYCLOPENTANE
C6H10
C4H8
C8H16
C8H16
C8H16
4MCPEN
MCYP
1M1E
1C2E
1C3E
1-METHYL-trans-2-ETHYLCYCLOPENTANE
2-METHYL-3-ETHYLPENTANE
METHYLGLUTARONITRILE
C8H16
C8H16
C8H18
C8H18
C6H8N2
1T2E
1T3E
2M3E
3M3E
MGLUTNTR
1T2ECP
1T3ECP
2M3EPN
3M3EPN
2-METHYLHEPTANE
3-METHYLHEPTANE
4-METHYLHEPTANE
2-METHYL-2,4-HEXADIENE
3-METHYLHEXANAL
C8H18
C8H18
C8H18
C7H12
C7H14O
2MHP
3MHP
4MHP
2H24
3MHEXAL
2MHEPT
3MHEPT
4MHEPT
2M24HXD
I-4-26
HOMBUT
MCYHXN
MCYCPNT
MCYPRPAN
1M1ECP
1C2ECP
1C3ECP
Component Name
Formula
Library Name
2-METHYLHEXANE
3-METHYLHEXANE
5-METHYL-2-HEXANONE
2-METHYL-1-HEXENE
3-METHYL-1-HEXENE
C7H16
C7H16
C7H14O
C7H14
C7H14
2MHX
3MHX
IAMK
2MH1
3M1H
2MHXAN
3MHXAN
M2HXK
4-METHYL-1-HEXENE
1-METHYLINDENE
2-METHYLINDENE
1-METHYLNAPHTHALENE
2-METHYLNAPHTHALENE
C7H14
C10H10
C10H10
C11H10
C11H10
4HX1
1MINDENE
2MINDENE
1MNP
2MNP
4M1HEXEN
2-METHYLNONANE
3-METHYLNONANE
4-METHYLNONANE
5-METHYLNONANE
2-METHYLOCTANE
C10H22
C10H22
C10H22
C10H22
C9H20
2MNON
3MN
4MNON
5MNON
2MO
3-METHYLOCTANE
4-METHYLOCTANE
2-METHYLPENTANE
3-METHYLPENTANE
2-METHYL-1-PENTANOL
C9H20
C9H20
C6H14
C6H14
C6H14O
3MO
4MO
2MP
3MP
2M1PNALC
3MOCTN
4MOCTN
2MPENTAN
3MPENTAN
4-METHYL-2-PENTANOL
2-METHYL-1-PENTENE
2-METHYL-2-PENTENE
3-METHYL-1-PENTENE
3-METHYL-cis-2-PENTENE
C6H14O
C6H12
C6H12
C6H12
C6H12
MIBC
2M1P
2PN2
3M1P
3PC2
4M2PNALC
2M1PNTEN
2M2PNTEN
3M1PNTEN
3MC2PNTE
4-METHYL-1-PENTENE
3-METHYL-trans-2-PENTENE
METHYL-n-PENTYL ETHER
C6H12
C6H12
C6H12
C6H12
C6H14O
4PN1
4PC2
3PT2
4PT2
MC5E
4M1PNTEN
4MC2PNTE
METHYL-t-PENTYL SULFIDE
METHYL-n-PROPYL SULFIDE
1-METHYL-2-PROPYLBENZENE
C6H14S
C4H10S
C10H14
C10H14
C10H14
MTPS
MPSULFD
1M2PRBZ
1M3PRBZ
1M4PRBZ
2-METHYLPYRIDINE
3-METHYLPYRIDINE
4-METHYLPYRIDINE
4-METHYLQUINOLINE
6-METHYLQUINOLINE
C6H7N
C6H7N
C6H7N
C10H9N
C10H9N
2MPYRDN
3MPYRDN
4MPI
4MQUINLN
6MQUINLN
8-METHYLQUINOLINE
alpha-METHYLSTYRENE
m-METHYLSTYRENE
o-METHYLSTYRENE
p-METHYLSTYRENE
C10H9N
C9H10
C9H10
C9H10
C9H10
8MQUINLN
AMST
MMSTYR
OMSTYR
PVTOL
1MNAPHTH
2MNAPHTH
3MNONANE
2MOCTN
4MT2PNTE
4MPYRIDN
AMSTYREN
I-4-27
Component Name
Formula
Library Name
trans-beta-METHYLSTYRENE
2-METHYLTHIOPHENE
3-METHYLTHIOPHENE
N-METHYLTHIOPYRROLIDONE
MONOCHLOROBENZENE
C9H10
C5H6S
C5H6S
C5H9NS
C6H5Cl
TBMS
2MTHIO
3MTHIO
NMTHIOP
CLBZ
MONOETHANOLAMINE
MONOSODIUM GLUTAMATE
MONOSODIUM PHOSPHATE
MORPHOLINE
N-AMINOETHYL ETHANOLAMINE
C2H7NO
C5H8NNaO4
H2NaO4P
C4H9NO
C4H12N2O
N-AMINOETHYL PIPERAZINE
NAPHTHALENE
1,5-NAPHTHALENE DIISOCYANATE
1-NAPHTHYLAMINE
2-NAPHTHYLAMINE
C6H5CL
CLBENZEN
MEA
MSG
NAH2PO4
MRPN
AMETEA
ETNLAMIN
DMEA
MEAH
MRPHLN
MORPHOLN
MORPH
C6H15N3
C10H8
C12H6N2O2
C10H9N
C10H9N
AEPZ
NPHT
15NPDICY
1NAPAMIN
2NAPAMIN
AEPIPZ
NAPHTHLN
AEPIPRAZ
N-BUTYLANILINE
NEOHEPTANOIC ACID
NEOHEXANOIC ACID
NEON
NEOPENTANE
C10H15N
C7H14O2
C6H12O2
Ne
C5H12
BNLN
NEOC7HO
NEOC6HO
NEON
22PR
BANLN
BANILINE
NE
22DMPR
NEOP
NEOPENTANOIC ACID
NEOPENTYL GLYCOL
N-ETHYLANILINE
NIACIN
NIOBIUM PENTAFLUORIDE
C5H10O2
C5H12O2
C8H11N
C6H5NO2
F5Nb
HNEOC5
NEOC5GLY
EPHAM
NIACIN
NBF5
NITRIC ACID
NITRIC OXIDE
2,2,2-NITRILOTRIS-ACETONITRILE
m-NITROANILINE
o-NITROANILINE
HNO3
NO
C6H6N4
C6H6N2O2
C6H6N2O2
HNO3
NO
TETNITAM
3NANL
2NANL
NITRIC
NITROXID
p-NITROANILINE
o-NITROANISOLE
NITROBENZENE
3-NITROBENZOTRIFLUORIDE
1-NITROBUTANE
C6H6N2O2
C7H7NO3
C6H5NO2
C7H4F3NO2
C4H9NO2
4NANL
2NANSOL
NITBNZ
3NBZTF
1NTRBU
PNANL
o-NITRODIPHENYLAMINE
p-NITRODIPHENYLAMINE
NITROETHANE
2-NITROETHYLBENZENE
NITROGEN
C12H10N2O2
C12H10N2O2
C2H5NO2
C8H9NO2
N2
ONDPAM
PNDPAM
NTRETH
2NETHBZ
N2
NITROGEN DIOXIDE
NITROGEN PENTOXIDE
NITROGEN TETROXIDE
NITROGEN TRICHLORIDE
NITROGEN TRIFLUORIDE
NO2
N2O5
N2O4
Cl3N
F3N
NO2
NITPO
DNTETOX
NCL3
NF3
I-4-28
NEOC5
NIOPNF
MNANL
ONANL
NITROGEN
NITRDIOX
NITRIF
Component Name
Formula
Library Name
NITROGEN TRIOXIDE
NITROGLYCERINE
NITROMETHANE
1-NITROPROPANE
2-NITROPROPANE
N2O3
C3H5N3O9
CH3NO2
C3H7NO2
C3H7NO2
NITTO
NITRGLYC
NTRM
1NTRPR
2NIP
NITROSYL CHLORIDE
NITROSYLSULFURIC ACID
m-NITROTOLUENE
o-NITROTOLUENE
p-NITROTOLUENE
ClNO
HNO5S
C7H7NO2
C7H7NO2
C7H7NO2
NOCL
NSYLS
2NT
3NT
4NT
NITROUS ACID
NITROUS OXIDE
2-METHOXY PROPANOL-1
N-METHYL DIPHENYLAMINE
N-METHYLACETAMIDE
HNO2
N2O
C4H10O2
C13H13N
C3H7NO
HNO2
NITRSOXD
N2O
MOXYPROH
NMDPHAMN
NMAMIDE
N-METHYLANILINE
N-METHYLCYCLOHEXYLAMINE
N-METHYLFORMAMIDE
2-METHYL-1-HEPTENE
2-METHYLHEXANAL
C7H9N
C7H15N
C2H5NO
C8H16
C7H14O
MPAM
MCYHAM
NMF
2M1HP
2MHEXAL
2-METHYL-1,3-PROPANEDIOL
N-METHYLPYRROLE
N-METHYLPYRROLIDINE
N-METHYL-2-PYRROLIDONE
N,N-DIETHYLANILINE
C4H10O2
C5H7N
C4H11N
C5H9NO
C10H15N
2M13PD
NMPYROLE
NMPYRDIN
NMP
NNDEANLN
N,N-DIMETHYLACETAMIDE
N,N-DIMETHYLANILINE
N,N-DIMETHYLFORMAMIDE
N,N-DIMETHYL-o-TOLUIDINE
N,N-DIMETHYL-p-TOLUIDINE
C4H9NO
C8H11N
C3H7NO
C9H13N
C9H13N
DIMA
NNAN
DMF
NNDMOT
NNDMPT
N,N-DIPHENYL-p-PHENYLENEDIAMINE
n-NONACOSANE
n-NONADECANE
1-NONADECANOL
NONADECANOIC ACID
C18H16N2
C29H60
C19H40
C19H40O
C19H38O2
NNDPPDA
NC29
NODC
NONDECNL
C19ACID
1-NONADECENE
1-NONANAL
n-NONANE
n-NONANOIC ACID
1-NONANOL
C19H38
C9H18O
C9H20
C9H18O2
C9H20O
NONDE1
NONANAL
NONANE
HNON
C9OH
2-NONANOL
1-NONENE
n-NONYL ACETATE
n-NONYL FORMATE
n-NONYL MERCAPTAN
C9H20O
C9H18
C11H22O2
C10H20O2
C9H20S
2NONOL
NON1
NONACTAT
NOFORMT
NONSH
CH3NO2
NOMETHAN
C3H7NO2
2NOPRPAN
NITRSLCL
2NTRTOL
3NTRTOL
4NTRTOL
MPHAMN
MPHAMINE
M2P
1M2PYRLD
NNDMA
NNDMAN
DMFAMID
NNDMANLN
NONDECAN
NC19
NONA
C9ACID
NONANOL
NC9
NONANOIC
NONLALC
NALC
1NONENE
I-4-29
Component Name
Formula
Library Name
n-NONYLAMINE
n-NONYLBENZENE
NONYLCYCLOPENTANE
1-n-NONYLNAPHTHALENE
2-NONYLNAPHTHALENE
C9H21N
C15H24
C14H28
C19H26
C19H26
C9AMINE
C9BZ
NOCP
1NNP
2NNP
NOCYPNTN
1NNAPHTH
2NONAPHT
NONYLPHENOL
2-NORBORNENE
n-OCTACOSANE
OCTADECAMETHYL OCTASILOXANE
n-OCTADECANE
C15H24O
C7H10
C28H58
C18H54O7Si8
C18H38
C9PHNOL
NORBRENE
NC28
ODMOSLN
OCDC
OCTDECAN
NC18
1-OCTADECANOL
1-OCTADECENE
n-OCTADECYLBENZENE
OCTAFLUORO-2-BUTENE
OCTAFLUOROCYCLOBUTANE
C18H38O
C18H36
C24H42
C4F8
C4F8
1ODA
OCD1
C18BENZ
OFC4
R318
1OCDCNOL
1OCDECEN
1OCDCALC
OCTAFLUOROPROPANE
OCTAMETHYL TRISILOXANE
OCTAMETHYLCYCLOTETRASILOXANE
1-OCTANAL
n-OCTANE
C3F8
C8H24O2Si3
C8H24O4Si4
C8H16O
C8H18
PFC3
OMSLOXAN
OMCTSLN
OCTANAL
OCTANE
PFPROPAN
OCTN
NC8
n-OCTANOIC ACID
1-OCTANOL
2-OCTANOL
2-OCTANONE
1-OCTENE
C8H16O2
C8H18O
C8H18O
C8H16O
C8H16
HOCT
OCTA
2OA
MHXK
OCT1
CAPRYLIC
OCTANOL
2OCTANOL
MHXKETON
1OCTENE
C8ACID
OCTLALC
2OCTLALC
cis-2-OCTENE
trans-2-OCTENE
cis-3-OCTENE
trans-3-OCTENE
cis-4-OCTENE
C8H16
C8H16
C8H16
C8H16
C8H16
C2OCTENE
OCT2
C3OCTENE
OCT3
C4OCTENE
trans-4-OCTENE
OCTYL ACETATE
OCTYL BUTYRATE
n-OCTYL FORMATE
n-OCTYL MERCAPTAN
C8H16
C10H20O2
C12H26O2
C9H18O2
C8H18S
OCT4
OCACTAT
OCBUTRAT
OCFORMT
OC1THIOL
tert-OCTYL MERCAPTAN
OCTYL PROPIONATE
OCTYL VALERATE
n-OCTYLAMINE
n-OCTYLBENZENE
C8H18S
C11H22O2
C13H26O2
C8H19N
C14H22
TOCTSH
OCPRPNT
OCVALRAT
OCTAMINE
DIPPHTH
OCTYLCYCLOPENTANE
p-tert-OCTYLPHENOL
1-OCTYNE
OLEIC ACID
OXALIC ACID
C13H26
C14H22O
C8H14
C18H34O2
C2H2O4
OCP
PTOPHN
1OCTYNE
OLEIC
OXALICAC
I-4-30
PFBUTEN
C318
PFCYBUTN
OCTANOIC
C8OH
2OCOH
T2OCTENE
T3OCTENE
T4OCTENE
OCCYPNTN
OLEHOAC
Component Name
Formula
Library Name
OXAZOLE
OXYGEN
OXYGEN FLUORIDE
OZONE
PARALDEHYDE
C3H3NO
O2
F2O
O3
C6H12O3
OAZL
O2
OF2
O3
PALD
OXAZOL
OXYGEN
OZONE
PARALD
PARAL
PENTACHLOROETHANE
n-PENTACOSANE
n-PENTADECANE
PENTADECANOIC ACID
1-PENTADECANOL
C2HCl5
C25H52
C15H32
C15H30O2
C15H32O
PNCE
NC25
PNDC
C15ACID
PNTDECNL
C2HCL5
PNCLETHN
PENDECAN
PNDCNIOC
NC15
1-PENTADECENE
n-PENTADECYLBENZENE
PENTADECYLCYCLOPENTANE
1,2-PENTADIENE
1,4-PENTADIENE
C15H30
C21H36
C20H40
C5H8
C5H8
PDC1
C15BENZ
PDCP
12PD
14PD
1PNDECEN
2,3-PENTADIENE
cis-1,3-PENTADIENE
trans-1,3-PENTADIENE
PENTAERYTHRITOL
PENTAERYTHRITOL TETRANITRATE
C5H8
C5H8
C5H8
C5H12O4
C5H8N4O12
23PD
PPLN
TPND
PNTRYTOL
PETHTNTR
PENTAFLUOROBENZENE
PENTAFLUOROETHANE
1,1,1,2,2-PENTAFLUOROPROPANE
2,2,4,6,6-PENTAMETHYLHEPTANE
n-PENTANE
C6HF5
C2HF5
C3H3F5
C12H26
C5H12
PNFBNZ
PENTFLET
R245
PMHP
PENTANE
22466MHP
NC5
PNTN
1,5-PENTANEDIOL
2,4-PENTANEDIOL
PENTANE-2-THIOL
1-PENTANOL
2-PENTANOL
C5H12O2
C5H12O2
C5H12S
C5H12O
C5H12O
15PNDIOL
24PNDIOL
PN2THIOL
PNTA
2PNA
PENTANOL
2PENTNOL
AMYLALC
2PNTYALC
3-PENTANOL
2-PENTANONE
1-PENTENE
cis-2-PENTENE
trans-2-PENTENE
C5H12O
C5H10O
C5H10
C5H10
C5H10
3PNALC
MPK
PNT1
PTC2
PTT2
2PNTANON
1PENTENE
C2PENTEN
T2PENTEN
1-PENTENE-3-YNE
1-PENTENE-4-YNE
n-PENTYL ACETATE
PENTYL BUTYRATE
n-PENTYL FORMATE
C5H6
C5H6
C7H14O2
C9H18O2
C6H12O2
1P3YNE
1P4YNE
PNACTAT
PNBUTRAT
PNFORM
n-PENTYL MERCAPTAN
PENTYL PROPIONATE
PENTYL VALERATE
n-PENTYLAMINE
n-PENTYLBENZENE
C5H12S
C8H16O2
C10H20O2
C5H13N
C11H16
PN1THIOL
PNPRPNAT
PNVALRAT
PNAMINE
PNBZ
OXAZOLE
PNDCYPNT
12PNDIEN
14PNDIEN
PIPRYLEN
T13PND
C13PND
PNTYALC
2PNOH
C5AMINE
PNBENZEN
I-4-31
Component Name
Formula
Library Name
1-PENTYNE
2-PENTYNE
PERACETIC ACID
PERCHLORIC ACID
PERCHLORYL FLUORIDE
C5H8
C5H8
C2H4O3
ClHO4
ClFO3
PTY1
PTY2
HPER
HCLO4
PERCLFL
1PENTYNE
HOPERAC
PERACID
PERFLUOROCYCLOHEXANE
PERFLUORODECALIN
PERFLUORODECANE
PERFLUOROHEPTANE
PERFLUOROHEXANE
C6F12
C10F18
C10F22
C7F16
C6F14
PFCH
PFDCLN
PFLRDECN
PFHP
PFHX
C6F12
PFCYCHXN
C7F16
C6F14
PFHEPTAN
PFHEXANE
PERFLUOROMETHYLCYCLOHEXANE
PERFLUORO-2-METHYLPENTANE
PERFLUORONONANE
PERFLUOROOCTANE
PERFLUOROPENTANE
C7F14
C6F14
C9F20
C8F18
C5F12
FMCH
PF2MP
PFNONANE
PFOCTANE
PFPENTAN
C7F14
PFMCYCHP
PERFLUOROTOLUENE
1,1-PEROXYDICYCLOHEXYLAMINE
alpha-PHELLANDRENE
beta-PHELLANDRENE
PHENANTHRENE
C7F8
C12H21NO2
C10H16
C10H16
C14H10
PRFTOL
PDCA
APHELDR
BPHELDR
PHAN
11PDCA
11PXDCHA
o-PHENETIDINE
p-PHENETIDINE
PHENETOLE
PHENOL
PHENYL ACETONITRILE
C8H11NO
C8H11NO
C8H10O
C6H6O
C8H7N
OETHANLN
PPHNTDNE
EPHE
PHOH
PHACNTRL
PHENYL ISOCYANATE
PHENYL MERCAPTAN
L-PHENYLALANINE
2-PHENYLBUTENE-1
cis-2-PHENYLBUTENE-2
C7H5NO
C6H6S
C9H11NO2
C10H12
C10H12
PHISOCN
BZTHIOL
LPHANILN
2PB1
C2PHBUT2
trans-2-PHENYLBUTENE-2
m-PHENYLENEDIAMINE
o-PHENYLENEDIAMINE
p-PHENYLENEDIAMINE
2-PHENYLETHANOL
C10H12
C6H8N2
C6H8N2
C6H8N2
C8H10O
T2PHBUT2
3PHDIAM
2PHDIAM
4PHDIAM
2PHEA
PHENYLHYDRAZINE
1-PHENYLINDENE
1-PHENYLNAPHTHALENE
1-n-PENTYLNAPHTHALENE
PHENYLMETHYLDICHLOROSILANE
C6H8N2
C15H12
C16H12
C15H18
C7H8Cl2Si
PHHYDRZN
1PLIND
1PHNAP
1PNAP
PHMDCLS
1-PHENYL-1-PROPANOL
1-PHENYL-2-PROPANOL
PHENYLTRICHLOROSILANE
PHOSGENE
PHOSPHINE
C9H12O
C9H12O
C6H5Cl3Si
CCl2O
H3P
1PH1PROH
1PH2PROH
PHTCLS
PHOS
PHOSPHIN
I-4-32
PHNANTHR
PHENATOL
PHENOL
EPHETHER
C6H5OH
MPHDIAM
OPHDIAM
PPHDIAM
BZCRNOL
CCL2O
PHOSGENE
Component Name
Formula
Library Name
PHOSPHORIC ACID
PHOSPHOROUS ACID
PHOSPHORUS
PHOSPHORUS OXYCHLORIDE
PHOSPHORUS PENTACHLORIDE
H3O4P
H3O3P
P
Cl3OP
Cl5P
H3PO4
H3PO3
PHOSPHRS
POCL3
PCL5
PHOSPHORUS PENTASULFIDE
PHOSPHORUS PENTOXIDE
PHOSPHORUS THIOCHLORIDE
PHOSPHORUS TRICHLORIDE
PHTHALIC ACID
P4S10
O10P4
Cl3PS
Cl3P
C8H6O4
PPS
PPO
PSCL3
PHOSTRCL
PHTHALIC
PHTHALIC ANHYDRIDE
PIMELIC ACID
alpha-PINENE
beta-PINENE
PIPERAZINE
C8H4O3
C7H12O4
C10H16
C10H16
C4H10N2
PTAN
PIMELIC
PINENE
BPINENE
PPAZ
PIPERIDINE
POTASSIUM
POTASSIUM ACETATE
POTASSIUM BROMIDE
POTASSIUM CARBONATE
C5H11N
K
C2H3KO2
BrK
CK2O3
PIPRDINE
K
KACETATE
KBR
K2CO3
POTASSIUM CHLORATE
POTASSIUM CHLORIDE
POTASSIUM HYDROXIDE
POTASSIUM IODIDE
PROPADIENE
ClKO3
ClK
HKO
IK
C3H4
KCLO3
KCL
KOH
KI
ALEN
PROPANE
1,2-PROPANEDIAMINE
2-PROPANETHIOL
n-PROPANOL
PROPARGYL ALCOHOL
C3H8
C3H10N2
C3H8S
C3H8O
C3H4O
PROPANE
12PRODAM
PR1THIOL
PROPANOL
PRPGLALC
PROPARGYL CHLORIDE
cis-1-PROPENYLBENZENE
beta-PROPIOLACTONE
n-PROPIONALDEHYDE
PROPIONIC ACID
C3H3Cl
C9H10
C3H4O2
C3H6O
C3H6O2
PPARCL
C1PRBENZ
PRLC
PRH
HPRP
PROPIONIC ANHYDRIDE
PROPIONITRILE
n-PROPYL ACETATE
n-PROPYL ACRYLATE
n-PROPYL BENZOATE
C6H10O3
C3H5N
C5H10O2
C6H10O2
C10H12O2
PRANHYD
PRNT
PROA
PRPACR
PRBENZOA
n-PROPYL n-BUTYRATE
n-PROPYL CHLORIDE
n-PROPYL FORMATE
n-PROPYL IODIDE
PROPYL ISOBUTYRATE
C7H14O2
C3H7Cl
C4H8O2
C3H7I
C7H14O2
PRBUTRAT
1CLP
PRFO
1IPRPAN
PIBUTRAT
PHTHANHD
PTANHD
APINENE
PIPRAZIN
DETLNDIA
ALLENE
PROPDIEN
PROP
C3
NPRA
PRPLALC
PROH
BPRPLCTN
PRPALD
PRPIONIC
PROPALD
PROPACID
HOPR
PRPNITRL
PROAC
PRACTAT
1CLPRP
PROFO
PRFORMAT
I-4-33
Component Name
Formula
Library Name
n-PROPYL ISOBUTYRATE
PROPYL ISOPROPYL KETONE
n-PROPYL METHACRYLATE
n-PROPYL PROPIONATE
PROPYL VALERATE
C7H14O2
C7H14O
C7H12O2
C6H12O2
C8H16O2
PRIBU
PRIPK
PRMACLAT
PRPR
PRVALRAT
n-PROPYLAMINE
n-PROPYLBENZENE
n-PROPYLCYCLOHEXANE
n-PROPYLCYCLOPENTANE
PROPYLENE
C3H9N
C9H12
C9H18
C8H16
C3H6
NPAM
PBZN
PCH
PRCP
PRLN
PROPYLENE CARBONATE
1,2-PROPYLENE GLYCOL
PROPYLENE GLYCOL MONOMETHYL ETHER
ACETATE
C4H6O3
C3H8O2
C3H8O2
C4H10O2
C6H12O3
PROPCARB
12PG
13PG
PGMMETH
PGMMEAC
PROPYLENE GLYCOL 1-TERT-BUTYL ETHER

1,2-PROPYLENE OXIDE
1,3-PROPYLENE OXIDE
PROPYLENEIMINE
C7H16O2
C7H16O2
C3H6O
C3H6O
C3H7N
PG1TBE
PG2TBE
PO
13PO
PROPINM
n-PROPYLMERCAPTAN
1-PROPYLNAPHTHALENE
2-PROPYLNAPHTHALENE
1-n-PROPYLNAPHTHALENE
PYRENE
C3H8S
C13H14
C13H14
C13H14
C16H10
PR2THIOL
1PNP
2PNP
1PRNP
PYRENE
PYRIDINE
PYROMELLITIC ACID
PYRROLE
PYRROLIDINE
2-PYRROLIDONE
C5H5N
C10H6O8
C4H5N
C4H9N
C4H7NO
PYRI
PYROMELL
PYRR
PYRO
2PYRO
PYRUVIC ACID
QUINALDINE
QUINOLINE
QUINONE
RUBIDIUM
C3H4O3
C10H9N
C9H7N
C6H4O2
Rb
PYRUVIC
2MQUINLN
QUINOLIN
QUINONE
RB
SALICYLALDEHYDE
SALICYLIC ACID
SEBACIC ACID
SILANE
SILICON
C7H6O2
C7H6O3
C10H18O4
H4Si
Si
SALAL
SALACID
SEBACIC
SILANE
SILICON
I-4-34
PROPR
PRPRPNAT
PRAMIN
PRBENZEN
PRPCYC6
PRCYCPNT
PROPYLEN
PRAMINE
PRPYLN
PROPENE
PG
13PRDIOL
PRPLNGLY
12PROPDI
PROXID
13PROXID
PRO
OXETANE
TRMEOXID
1PRNAPHT
2PRNAPHT
PYRIDINE
PYRROLE
PYROLIDN
LACTAM
RUBIDIUM
SALCYLIC
C10DHOAC
Component Name
Formula
Library Name
SILICON CARBIDE
SILICON DIOXIDE
SILICON TETRACHLORIDE
SILICON TETRAFLUORIDE
SILVER
CSi
O2Si
Cl4Si
F4Si
Ag
SILCARB
SIO2
SITC
SIF4
SILVER
SODIUM
SODIUM AMIDE
SODIUM BENZOATE
SODIUM BICARBONATE
SODIUM BISULFATE
Na
H2NNa
C7H5NaO2
CHNaO3
HNaO4S
NA
NANH2
NABENZOT
NAHCO3
NAHSO4
SODIUM BISULFITE
SODIUM BROMIDE
SODIUM CARBONATE
SODIUM CHLORATE
SODIUM CHLORIDE
HNaO3S
BrNa
CNa2O3
ClNaO3
ClNa
NAHSO3
NABR
NA2CO3
NACLO3
NACL
SODIUM CYANIDE
SODIUM DICHROMATE
SODIUM DIETHYLDITHIOCARBAMATE
SODIUM FLUORIDE
SODIUM FORMATE
CNNa
Cr2Na2O7
C5H10NNaS2
FNa
CHNaO2
NACN
NADCRMAT
NADETCAR
NAF
NAFORM
SODIUM HEXAMETAPHOSPHATE
SODIUM HYDROSULFITE
SODIUM HYDROXIDE
SODIUM HYPOCHLORITE
SODIUM IODIDE
Na6O18P6
Na2O4S2
HNaO
ClNaO
INa
NAHMPHOS
NA2S2O4
NAOH
NACLO
NaI
SODIUM NITRATE
SODIUM NITRITE
SODIUM PERBORATE
SODIUM PEROXIDE
SODIUM SILICATE
NNaO3
NNaO2
BNaO3
Na2O2
Na2O3Si
NANO3
NANO2
NAPBORAT
NA2O2
NASILICA
SODIUM SULFATE
SODIUM SULFIDE
SODIUM THIOSULFATE
SODIUM TRIPOLYPHOSPHATE
SORBITOL
Na2O4S
Na2S
Na2O3S2
Na5O10P3
C6H14O6
NA2SO4
NA2S
NA2S2O3
NATPPHOS
SORBITOL
SQUALANE
STANNIC CHLORIDE
STEARIC ACID
cis-STILBENE
trans-STILBENE
C30H62
Cl4Sn
C18H36O2
C14H12
C14H12
SQUALANE
SNCL4
STEARIC
CSTILBEN
TSTILBEN
STYRENE
SUBERIC ACID
SUCCINIC ACID
SUCCINIC ANHYDRIDE
SUCCINONITRILE
C8H8
C8H14O4
C4H6O4
C4H4O3
C4H4N2
STYR
SUBERIC
HSUC
SUCAND
C4NT
SICL4
SITETRCL
SODIUM
C18ACID
STYRENE
SUCCINIC
C4DOAND
ETCYANID
SUCCNAC
HOSC
SUCCINIT
I-4-35
Component Name
Formula
Library Name
SUCROSE
SULFAMIC ACID
SULFANILIC ACID
SULFOLANE
SULFOLENE
C12H22O11
H3NO3S
C6H7NO3S
C4H8O2S
C4H6O2S
SUCROSE
SULFAMAC
SULFANON
SULFOLAN
SULFLENE
SULFUR
SULFUR DICHLORIDE
SULFUR DIOXIDE
SULFUR HEXAFLUORIDE
SULFUR TRIOXIDE
S
Cl2S
O2S
F6S
O3S
SULFUR
SULFDICL
SO2
SF6
SO3
SULFURIC ACID
SULFURYL CHLORIDE
TARTARIC ACID
BIS-(2-HYDROXYETHYL) TEREPHTHALATE
TEREPHTHALDEHYDE
H2O4S
Cl2O2S
C4H6O6
C12H14O6
C8H6O2
H2SO4
SULNYCL
TARTARIC
BHET
TEREPALD
TEREPHTHALIC ACID
m-TERPHENYL
o-TERPHENYL
p-TERPHENYL
alpha-TERPINENE
C8H6O4
C18H14
C18H14
C18H14
C10H16
TEPHTHLC
MTPH
OTPH
PTPH
ATERP
gamma-TERPINENE
TERPINOLENE
1,1,2,2-TETRABROMOETHANE
1,1,1,2-TETRACHLORODIFLUOROETHANE
C10H16
C10H16
C2H2Br4
C2Cl4F2
C2Cl4F2
GTERP
TERPOLIN
1122TBRE
1112TCDF
R112
1,1,1,2-TETRACHLOROETHANE
TETRACHLOROETHYLENE
TETRACHLOROTHIOPHENE
TETRACOSANE
C2H2Cl4
C2H2Cl4
C2Cl4
C4Cl4S
C24H50
TECE
ETEC
PCEE
TCLTHIO
NC24
TETRADECAMETHYL HEXASILOXANE
n-TETRADECANE
n-TETRADECANOIC ACID
1-TETRADECANOL
1-TETRADECENE
C14H42O5Si6
C14H30
C14H28O2
C14H30O
C14H28
TDMHSLN
TDCN
MYRISTIC
TETDCNOL
TED1
TETRADECYLAMINE
n-TETRADECYLBENZENE
TETRADECYLCYCLOPENTANE
TETRAETHYL SILANE
TETRAETHYL LEAD
C14H31N
C20H34
C19H38
C8H20Si
C8H20Pb
C14AMINE
C14BENZ
TDCP
TETESLAN
TETEPB
TEDCYPNT
TETRAETHYLENE GLYCOL
TETRAETHYLENE GLYCOL DIMETHYL ETHER
TETRAETHYLENEPENTAMINE
1,1,1,2-TETRAFLUOROETHANE
C8H18O5
C10H22O5
C8H23N5
C2H2F4
C2H2F4
TETRA
TETGDME
TEPA
TFETH
R134
TEPAMN
I-4-36
SULFLN
SULFDIOX
SULFHXF
SULFTROX
SULFURIC
MTERPHNL
OTERPHNL
PTERPHNL
C2CL4F2
TCLDFETH
C2H2CL4
H2C2CL4
C2CL4
1112CLET
1122CLET
TECLETHE
TCDFF112
TETCOSAN
TETDECAN
C14ACID
NC14
1TEDECEN
TEEPNAMN
Component Name
Formula
Library Name
TETRAFLUOROETHYLENE
TETRAFLUOROHYDRAZINE
TETRAHYDROFURAN
TETRAHYDROFURFURYL ALCOHOL
1,2,3,4-TETRAHYDRONAPHTHALENE
C2F4
F4N2
C4H8O
C5H10O2
C10H12
C2F4
TETFHYD
THF
THFA
THNP
TETRAHYDROPYRAN
TETRAHYDROTHIOPHENE
1,2,3,4-TETRAMETHYLBENZENE
C5H10O
C4H8S
C10H14
C10H14
C10H14
THDPYRAN
THTHIOPH
1234TMBZ
1235TMBZ
TMBZ
1245MBNZ
2,2,3,3-TETRAMETHYLBUTANE
2,2,3,3-TETRAMETHYLHEXANE
2,2,3,3-TETRAMETHYLPENTANE
C8H18
C10H22
C9H20
C9H20
C9H20
TEMB
TEMH
2233
2234
2244
2233MB
2233MHX
2233MP
2234MP
2244MP
TETRAMETHYLSILANE
TETRANITROMETHANE
1,1,2,2-TETRAPHENYLETHANE
TETRAPHENYLETHYLENE
C9H20
C4H12Si
CN4O8
C26H22
C26H20
2334
TEMSILAN
TETNITME
TETPHET
TETPNETE
2334MP
TETRAPHENYLMETHANE
TETRASODIUM PYROPHOSPHATE
TETRYL
THERMINOL 44
THERMINOL 55
C25H20
Na4O7P2
C7H5N5O8
MIXTURE
MIXTURE
TETPHM
TTNAPHOS
TETRYL
T44
T55
THRMNL44
THRMNL55
THERMINOL 59
THERMINOL 60
THERMINOL 66
THERMINOL 75
THERMINOL VP-1
MIXTURE
MIXTURE
MIXTURE
MIXTURE
MIXTURE
T59
T60
T66
T75
VP1
THRMNL59
THRMNL60
THRMNL66
THRMNL75
THRMVP-1
THIACYCLOPROPANE
THIAZOLE
THIODIGLYCOL
THIOGLYCOLIC ACID
THIONYL CHLORIDE
C2H4S
C3H3NS
C4H10O2S
C2H4O2S
Cl2OS
THIIRANE
THIA
THDGLYCL
THIOHOAC
THIOCL
THIOPHENE
THIOUREA
THYMOL
TITANIUM DIOXIDE
TITANIUM TETRACHLORIDE
C4H4S
CH4N2S
C10H14O
O2Ti
Cl4Ti
THIO
THIOUREA
THYMOL
TIO2
TICL4
TITANIUM TRICHLORIDE
p-TOLUALCOHOL
o-TOLUALDEHYDE
p-TOLUALDEHYDE
TOLUENE
Cl3Ti
C8H10O
C8H8O
C8H8O
C7H8
TICL3
PT0LUALC
OTOLUALD
PTOLALD
TOLU
PFETHENE
PFEE
TEHFURAN
TEHFALC
1234HNAP
TETRALIN
THIAZL
THIAZOLE
C4H4S
THIOPHEN
TOLUENE
I-4-37
Component Name
Formula
Library Name
TOLUENE DIISOCYANATE
TOLUENEDIAMINE
o-TOLUENESULFONIC ACID
p-TOLUENESULFONIC ACID
o-TOLUIC ACID
C9H6N2O2
C7H10N2
C7H8O3S
C7H8O3S
C8H8O2
T24D
TLDA
OTSULFON
PTSULFON
2MBA
p-TOLUIC ACID
m-TOLUIDINE
o-TOLUIDINE
p-TOLUIDINE
m-TOLUNITRILE
C8H8O2
C7H9N
C7H9N
C7H9N
C8H7N
4MBA
MTLU
OTLU
PTLU
MTOLNTRL
o-TOLUNITRILE
p-TOLUNITRILE
TRIACETONE ALCOHOL
n-TRIACONTANE
TRIAMYLAMINE
C8H7N
C8H7N
C9H18O3
C30H62
C15H33N
OTOLNTRL
PTOLNTRL
TACEALC
NC30
TAAM
1,1,2-TRIBROMOETHANE
TRIBROMOMETHANE
TRI-n-BUTYL BORATE
TRI-n-BUTYLAMINE
TRICHLOROACETALDEHYDE
C2H3Br3
CHBr3
C12H27BO3
C12H27N
C2HCl3O
112TRBRE
BROMFORM
TBBORATE
TBAM
TRBAMIN
CLAC
C2HCL3O
TRICHLOROACETIC ACID
TRICHLOROACETYL CHLORIDE
1,2,3-TRICHLOROBENZENE
C2HCl3O2
C2Cl4O
C6H3Cl3
C6H3Cl3
C6H3Cl3
TCLACETI
TCLACTCL
123TCLBZ
124CLBNZ
135TCLBZ
2,3,4-TRICHLOROBUTENE-1
1,1,1-TRICHLOROETHANE
TRICHLOROETHYLENE
1,1,1-TRICHLOROFLUOROETHANE
C4H5Cl3
C2H3Cl3
C2H3Cl3
C2HCl3
C2H2Cl3F
TCBE
1TCE
TCLE
TCEE
TCLFETH
C4H5CL3
CL3C2H3
H3C2CL3
C2HCL3
234TCLB1
111TCLET
112TCLET
TCLETHLN
TRICHLOROFLUOROMETHANE
1,2,3-TRICHLORO-2-METHYLBUTANE
1,2,3-TRICHLOROPROPANE
TRICHLOROSILANE
1,1,2-TRICHLOROTRIFLUOROETHANE
CCl3F
C5H9Cl3
C3H5Cl3
Cl3HSi
C2Cl3F3
R11
TCMB
TCPR
TRCLSIL
R113
CCL3F
C5H9CL3
C3H5CL3
TCLFMTHN
123CL2MB
123CLPRP
FREON11
TCTF
FREON113
UCON113 F113
TRICOSANE
TRI-o-CRESYL PHOSPHATE
1-TRIDECANAL
n-TRIDECANE
n-TRIDECANOIC ACID
C23H48
C21H21O4P
C13H26O
C13H28
C13H26O2
NC23
TCRSPHS
C13ALD
TRDC
C13ACID
TRICOSAN
1-TRIDECANOL
1-TRIDECENE
n-TRIDECYLBENZENE
TRIDECYLCYCLOPENTANE
TRIETHANOLAMINE
C13H28O
C13H26
C19H32
C18H36
C6H15O3N
1TRDECNL
TDC1
C13BNZN
TRCP
TEA
I-4-38
TOLDAM
HO2MBA
OTOLA
HO4MBA
MTOLUIDN
OTOLUIDN
PTOLUIDN
PTOLA
TRIDECAN
TRDCNOIC
TRBAMINE
CHLORAL
NC13
1TRDECEN
TDCYPNTN
TRENLAM
TEAH
Component Name
Formula
Library Name
TRIETHYL ALUMINUM
TRIETHYL PHOSPHATE
TRIETHYLAMINE
TRIETHYLENE GLYCOL
TRIETHYLENE GLYCOL DIMETHYL ETHER
C6H15Al
C6H15O4P
C6H15N
C6H14O4
C8H18O4
TEAL
TEPHOSPT
TEAM
TEG
TEGDME
TRIETHYLENE TETRAMINE
TRIETHYLENEDIAMINE
TRIFLUOROACETIC ACID
1,3,5-TRIFLUOROBENZENE
1,1,1-TRIFLUOROETHANE
C6H18N4
C6H12N2
C2HF3O2
C6H3F3
C2H3F3
TRIFLUOROMETHANE
TRIMELLITIC ANHYDRIDE
2,4,6-TRIMETHYL PHENOL
TRIMETHYL PHOSPHATE
TRIMETHYL SILANE
TEAMIN
TREG
TRIEAMIN
TETM
TEDIAMN
TFAC
135FBZ
R143
TRETAM
TRETAMIN
F3ACETIC
TRFACTAC
TFET
111FETHN
C2H3F3
CHF3
C9H4O5
C9H12O
C3H9O4P
C3H10Si
R23
TMLANHYD
246TMPH
TMEPHOS
TMESI
CHF3
FLFORM
FREON23
TRIMETHYLALUMINUM
TRIMETHYLAMINE
TRIMETHYLGALLIUM
1,2,3-TRIMETHYLBENZENE
C3H9Al
C3H9N
C3H9Ga
C9H12
C9H12
TMALUM
TMAM
TMGALL
123Z
124Z
2,2,3-TRIMETHYLBUTANE
2,3,3-TRIMETHYL-1-BUTENE
TRIMETHYLCHLOROSILANE
1-trans-3,5-TRIMETHYLCYCLOHEXANE
1,1,2-TRIMETHYLCYCLOPENTANE
C7H16
C7H14
C3H9ClSi
C9H18
C8H16
223B
TRTE
TMECLSI
1T35TMCH
112C
223MB
TRIPTENE
1-cis-2-cis-3-TRIMETHYLCYCLOPENTANE
1-cis-2-trans-3-TRIMETHYLCYCLOPENTANE
C8H16
C8H16
C8H16
C8H16
C8H16
113C
CMCP
CCCP
CTCP
CT4C
113MCP
1C2C3
1C2C4
1C2T3
1C2T4
1-trans-2-cis-3-TRIMETHYLCYCLOPENTANE
3,3,5-TRIMETHYLHEPTANE
2,2,4-TRIMETHYLHEXANE
C8H16
C8H16
C10H22
C9H20
C9H20
TCCP
TC4C
TMHP
224H
225H
1T2C3MCP
1T2C4MCP
335MHP
224MHX
225MHX
1,2,3-TRIMETHYLINDENE
C9H20
C9H20
C9H20
C9H20
C12H14
233H
235H
244H
334H
123TMIND
233MHX
235MHX
244MHX
334MHX
TRIMETHYLOLPROPANE
2,2,3-TRIMETHYLPENTANE
C6H14O3
C8H18
C8H18
C8H18
C8H18
TMLPROP
223P
224P
233P
234P
HXGLYCRL
223MP
224MPN
233MPN
234MP
246TMPHL
TMAMIN
TRIMAMIN
123MBENZ
124MBENZ
233M1BTE
112MCP
1C2C3MCP
1C2C4MCP
1C2T3MCP
1C2T4MCP
ISOOCTAN
I-4-39
Component Name
Formula
Library Name
2,2,4-TRIMETHYL-1,3-PENTANEDIOL
2,4,4-TRIMETHYL-1-PENTENE
2,4,6-TRIMETHYLPYRIDINE
1,3,5-TRINITROBENZENE
C8H18O2
C8H16
C8H16
C8H11N
C6H3N3O6
TMPDGLYC
244TM1P
244TM2P
246COL
135TNBZ
2,4,6-TRINITROTOLUENE
TRIOXANE
TRIPHENYL PHOSPHATE
1,1,2-TRIPHENYLETHANE
TRIPHENYLETHYLENE
C7H5N3O6
C3H6O3
C18H15O4P
C20H18
C20H16
TNT
TRIOXANE
TPHPHOS
TPHET
TRIPHET
TRIPHENYLMETHANE
TRIPHENYLPHOSPHINE
TRIPHENYLPHOSPHINE OXIDE
TRIPROPYLAMINE
TRIPROPYLENE GLYCOL
C19H16
C18H15P
C18H15OP
C9H21N
C9H20O4
TRIPHM
TPHPHSPN
TPHPHOX
TRPAMINE
TPG
TRIPROPYLENEGLYCOL MONOMETHYL ETHER

TRISODIUM PHOSPHATE
1-UNDECANAL
n-UNDECANE
UNDECANOIC ACID
C10H22O4
Na3O4P
C11H22O
C11H24
C11H22O2
TPGME
TNAPHOS
C11ALD
UNDC
C11ACID
1-UNDECANOL
1-UNDECENE
UNDECYL MERCAPTAN
UNDECYLAMINE
n-UNDECYLBENZENE
C11H24O
C11H22
C11H24S
C11H25N
C17H28
UNDECNOL
UND1
C11SH
C11AMINE
C11BZ
URANIUM HEXAFLUORIDE
UREA
VALERALDEHYDE
VALERIC ACID
gamma-VALEROLACTONE
F6U
CH4N2O
C5H10O
C5H10O2
C5H8O2
UF6
UREA
VALH
HVAL
GAMVLAC
VALERONITRILE
VANADIUM
VANADIUM OXYTRICHLORIDE
VANADIUM TETRACHLORIDE
VANILLIN
C5H9N
V
Cl3OV
Cl4V
C8H8O3
VALNITRL
VANADIUM
VOCL3
VCL4
VANILLIN
VINYL ACETATE
VINYL BROMIDE
VINYL CHLORIDE
VINYL FLUORIDE
VINYL FORMATE
C4H6O2
C2H3Br
C2H3Cl
C2H3F
C3H4O2
VINYL PROPIONATE
VINYLACETONITRILE
VINYLACETYLENE
VINYLCYCLOHEXENE
VINYLNORBORNENE
C5H8O2
C4H5N
C4H4
C8H12
C9H12
I-4-40
TRIOXIN
UNDECANE
UNDCNOIC
NC11
1UNDECEN
VLRALD
HOVA
VALRALD
VALRIC
VACT
VINYLBR
VCL
VFL
VFOR
VACTAT
VA
VINYLCL
C2H3F
VFORMAT
VCM
VFLUORID
VFO
VPROPNAT
ALCN
VAC
VCHE
VINORBOR
VPNAT
ALLCND
VACETYLN
VCHXEN
VALRACID
ALCYANID
Component Name
Formula
Library Name
WATER
XENON
m-XYLENE
o-XYLENE
p-XYLENE
H2O
Xe
C8H10
C8H10
C8H10
H2O
XE
MXYL
OXYL
PXYL
WATER
XENON
MXYLENE
OXYLENE
PXYLENE
H20
2,3-XYLENOL
2,4-XYLENOL
2,5-XYLENOL
2,6-XYLENOL
3,4-XYLENOL
C8H10O
C8H10O
C8H10O
C8H10O
C8H10O
23XC
24XC
25XC
26XC
34XC
23XYLNOL
24XYLNOL
25XYLNOL
26XYLNOL
34XYLNOL
23XYLNAC
24XYLNAC
25XYLNAC
26XYLNAC
34XYLNAC
3,5-XYLENOL
ZINC
ZINC OXIDE
ZINC SULFATE
C8H10O
Zn
OZn
O4SZn
35XC
ZINC
ZNO
ZNSO4
35XYLNOL
35XYLNAC
I-4-41
I-4-42
Chapter 5
Sorted by Formula
Master List - Sorted by Formula
Component Name
Formula
Library Name
SILVER
ALUMINUM
ALUMINUM TRIBROMIDE
ALUMINUM CHLORIDE
ALUMINUM HYDROXIDE
Ag
Al
AlBr3
AlCl3
AlH3O3
SILVER
AL
ALBR3
ALCL3
ALHYDRO
ALUMINUM PHOSPHATE (ORTHO)

ALUMINUM OXIDE
ALUMINUM SULFATE
ARGON
ARSENIC
AlO4P
Al2O3
Al2O12S3
Ar
As
ALPO4
ALOXIDE
ALSULFAT
AR
ARSENIC
ARSENIC TRIOXIDE
ARSINE
BERYLLIUM
BORON TRICHLORIDE
BORON TRIFLUORIDE
As2O3
AsH3
Be
BCl3
BF3
ASTO
ARSINE
BERYL
BCL3
BF3
BORIC ACID
BISMUTH
SODIUM PERBORATE
DIBORANE
BORAX
BH3O3
Bi
BNaO3
B2H6
B4H20Na2O17
BORICACD
BISMUTH
NAPBORAT
B2H6
BORAX
ALUMINM
ARGON
BORNTRCL
DIBORAN
I-5-1
Component Name
Formula
Library Name
POTASSIUM BROMIDE
SODIUM BROMIDE
BROMINE
CARBON
BARIUM CARBONATE
BrK
BrNa
Br2
C
CBaO3
KBR
NABR
BR2
CARBON
BACO3
BROMOCHLORODIFLUOROMETHANE
BROMOTRICHLOROMETHANE
BROMOTRIFLUOROMETHANE
DIBROMODIFLUOROMETHANE
CALCIUM CARBONATE
CBrClF2
CBrCl3
CBrF3
CBr2F2
CCaO3
R12B1
BRTRICLM
TFBR
12B2
CACO3
BCF2M
HAL1211
BRCLF2C1
R13B1
CBR2F2
H1301
DBDFM
CF3BR
CHLOROTRIFLUOROMETHANE
CYANOGEN CHLORIDE
PHOSGENE
TRICHLOROFLUOROMETHANE
CClF3
CClN
CCl2F2
CCl2O
CCl3F
R13
CNCL
R12
PHOS
R11
F13
CYANOCL
F12
CCL2O
CCL3F
CLTFMTHN CCLF3
CARBON TETRACHLORIDE
DEUTEROMETHANE
CARBONYL FLUORIDE
CARBON TETRAFLUORIDE
TRIBROMOMETHANE
CCl4
CD4
CF2O
CF4
CHBr3
CCL4
CD4
CF2O
R14
BROMFORM
R10
DMETHANE
CRBNYLFL
F14
F10
CARBNTET
CF4
CARTETF
CHLORODIFLUOROMETHANE
DICHLOROFLUOROMETHANE
CHLOROFORM
TRIFLUOROMETHANE
HYDROGEN CYANIDE
CHClF2
CHCl2F
CHCl3
CHF3
CHN
R22
R21
CLFR
R23
HCN
F22
CL2F
CHCL3
CHF3
HYCYANID
CLDFMTHN I22
DCLFMTHM CHCL2F
CHLOROFM
FLFORM
FREON23
SODIUM FORMATE
SODIUM BICARBONATE
BROMOCHLOROMETHANE
DIBROMOMETHANE
DICHLOROMETHANE
CHNaO2
CHNaO3
CH2BrCl
CH2Br2
CH2Cl2
NAFORM
NAHCO3
BRCLM
DBRM
CL2M
DBRMETHN
DCLMETHN
CHLOROFLUOROMETHANE
DIFLUOROMETHANE
DIIODOMETHANE
FORMALDEHYDE
FORMIC ACID
CH2ClF
CH2F2
CH2I2
CH2O
CH2O2
R31, F31
DIFM
DIIM
FOH
HFOR
DIIMETHN
FRALD
FORMIC
I-5-2
BROMINE
DCLDFMTH CCL2F2
PHOSGENE
TCLFMTHN TCFM
CH2I2
FORMALD
FORMACID HCOOH
Component Name
Formula
Library Name
METHYL BROMIDE
METHYL CHLORIDE
METHYL TRICHLOROSILANE
METHYL FLUORIDE
METHYL IODIDE
CH3Br
CH3Cl
CH3Cl3Si
CH3F
CH3I
MEBR
MECL
METCLSI
MEFL
CH3I
CH3BR
CH3CL
MBROMID
CLMETHN
R41
METHIOD
MFLUORID CH3F
IMETHAN
FORMAMIDE
NITROMETHANE
METHANE
METHYL DICHLOROSILANE
UREA
CH3NO
CH3NO2
CH4
CH4Cl2Si
CH4N2O
FRMD
NTRM
METHANE
MEDCLSI
UREA
FRMAMD
CH3NO2
CH4
FORMAMID
NOMETHAN
METH
C1
THIOUREA
METHANOL
METHANESULFONIC ACID
METHYL MERCAPTAN
METHYL CHLOROSILANE
CH4N2S
CH4O
CH4O3S
CH4S
CH5ClSi
THIOUREA
METHANOL
MESULON
CH4S
MECLSI
MA
MEOH
METHALC
MMRCAPTN
METHIOL
MMCAPT
METHYLAMINE
METHYL SILANE
POTASSIUM CARBONATE
SODIUM CYANIDE
TETRANITROMETHANE
CH5N
CH6Si
CK2O3
CNNa
CN4O8
MAMN
MESIL
K2CO3
NACN
TETNITME
SODIUM CARBONATE
CARBON MONOXIDE
CARBONYL SULFIDE
CARBON DIOXIDE
CARBON DISULFIDE
CNa2O3
CO
COS
CO2
CS2
NA2CO3
CO
COS
CO2
CS2
SILICON CARBIDE
BROMOTRIFLUOROETHYLENE
1,2-DIBROMOCHLOROTRIFLUOROETHANE
1,2-DIBROMOTETRAFLUOROETHANE
CHLOROTRIFLUOROETHYLENE
CSi
C2BrF3
C2Br2ClF3
C2Br2F4
C2ClF3
SILCARB
BRTFETE
DBCLTRFE
R114B2
CLTFETE
CHLOROPENTAFLUOROETHANE
1,1,2-TRICHLOROTRIFLUOROETHANE
TETRACHLOROETHYLENE
C2ClF5
C2Cl2F4
C2Cl2F4
C2Cl3F3
C2Cl4
C2Cl4F2
R115
11TF
R114
R113
PCEE
R112
MAMINE
CRBMOXD
CRBLSULF
CRBDIOXD
CRBDSULF
C0
C02
CBRF3
F114B2
C2CLF3
12DBRTFE
F115
CL2C2F4
12CLETFET
TCTF
C2CL4
C2CL4F2
CLF5
11CLTFET
C2CL2F4
FREON113
TECLETHE
TCLDFETH
CLONFETH
I114
UCON113
TCDF
I-5-3
Component Name
Formula
Library Name
TRICHLOROACETYL CHLORIDE
HEXACHLOROETHANE
TETRAFLUOROETHYLENE
HEXAFLUOROETHANE
C2Cl4F2
C2Cl4O
C2Cl6
C2F4
C2F6
1112TCDF
TCLACTCL
PCET
C2F4
R116
HALOTHANE
2-CHLORO-1,1-DIFLUOROETHYLENE
2-CHLORO-1,1,1,2-TETRAFLUOROETHANE
C2HBrClF3
C2HClF2
C2HCl2F3
C2HCl2F3
C2HClF4
HALO
2CL11DFE
11DCLTFE
HFC123A
HFC124
HALOTHAN
C2HCLF2
TRICHLOROETHYLENE
DICHLOROACETYL CHLORIDE
TRICHLOROACETALDEHYDE
TRICHLOROACETIC ACID
PENTACHLOROETHANE
C2HCl3
C2HCl3O
C2HCl3O
C2HCl3O2
C2HCl5
TCEE
DCLACTCL
CLAC
TCLACETI
PNCE
C2HCL3
TCLETHLN
C2HCL3O
CHLORAL
C2HCL5
PNCLETHN
TRIFLUOROACETIC ACID
PENTAFLUOROETHANE
ACETYLENE
1,1,2,2-TETRABROMOETHANE
1-CHLORO-2,2,2-TRIFLUOROETHANE
C2HF3O2
C2HF5
C2H2
C2H2Br4
C2H2ClF3
TFAC
PENTFLET
ACTL
1122TBRE
CLTRFETH
F3ACETIC
TRFACTAC
ACETYLN
ETHYNE
C2H2
trans-1,2-DICHLOROETHYLENE
1,1-DICHLOROETHYLENE
cis-1,2-DICHLOROETHYLENE
CHLOROACETYL CHLORIDE
DICHLOROACETALDEHYDE
C2H2Cl2
C2H2Cl2
C2H2Cl2
C2H2Cl2O
C2H2Cl2O
12TE
11CE
CE12
CLACCL
DCLACEAL
12DCLETT
11DCLETE
12DCLETC
DICHLOROACETIC ACID
1,1,1-TRICHLOROFLUOROETHANE
1,1-DIFLUOROETHYLENE
C2H2Cl2O2
C2H2Cl3F
C2H2Cl4
C2H2Cl4
C2H2F2
DCLACETA
TCLFETH
TECE
ETEC
G150
C2H2CL4
H2C2CL4
CH2F2
1112CLET
1122CLET
11DFLETE
F150
KETENE
GLYOXAL
OXALIC ACID
C2H2F4
C2H2F4
C2H2O
C2H2O2
C2H2O4
TFETH
R134
KETN
GLXL
OXALICAC
KETENE
GLYXAL
GLYOXAL
I-5-4
C2CL6
PFETHENE
F116
HXCLETHN
PFEE
PFETHANE C2F6
Component Name
Formula
Library Name
VINYL BROMIDE
1,1,2-TRIBROMOETHANE
VINYL CHLORIDE
1-CHLORO-1,1-DIFLUOROETHANE
1,1-DICHLORO-1-FLUOROETHANE
C2H3Br
C2H3Br3
C2H3Cl
C2H3ClF2
C2H3Cl2F
VINYLBR
112TRBRE
VCL
CFFE
R141B
ACETYL CHLORIDE
CHLOROACETALDEHYDE
CHLOROACETIC ACID
METHYL CHLOROFORMATE
C2H3ClO
C2H3ClO
C2H3ClO2
C2H3ClO2
C2H3Cl3
VINYL FLUORIDE
1,1,1-TRIFLUOROETHANE
POTASSIUM ACETATE
ACETONITRILE
VINYLCL
R142B
VCM
C2H3CLF2
ACCL
CLACETAL
CLACETIC
MECLFORM
TCLE
C2H3CLO
ACTLCHLR
H3C2CL3
112TCLET
C2H3Cl3
C2H3F
C2H3F3
C2H3KO2
C2H3N
1TCE
VFL
R143
KACETATE
ACEN
CL3C2H3
C2H3F
TFET
111TCLET
VFLUORID
111FETHN
ACETNTRL
CH3CN
HYDROXYACETONITRILE
METHYL ISOCYANATE
ETHYLENE
1,2-DIBROMOETHANE
1,1-DIBROMOETHANE
C2H3NO
C2H3NO
C2H4
C2H4Br2
C2H4Br2
GLYCNITR
MICT
ETLN
EDBR
11DBRME
CH3NCO
ETHYLENE
12DBRE
MISOCYNT
ETHENE
C2H4BR2
1,1-DICHLOROETHANE
1,2-DICHLOROETHANE
BIS(CHLOROMETHYL)ETHER
1,2-DIFLUOROETHANE
1,1-DIFLUOROETHANE
AMINOACETONITRILE
C2H4Cl2
C2H4Cl2
C2H4Cl2O
C2H4F2
C2H4F2
C2H4N2
11C2
12CE
BISCLETR
12DFETHN
11F2
CYMEAM
11DCLETH
EDC
12DCLETH
G152A
R152A
11DFETHN
ETHYLENE GLYCOL DINITRATE

DICYANDIAMIDE
ACETALDEHYDE
ETHYLENE OXIDE
ACETIC ACID
C2H4N2O6
C2H4N4
C2H4O
C2H4O
C2H4O2
EGDNIT
DCYANAM
ACH
EO
HAC
ACTALD
EOXIDE
ACETIC
ACETALD
ETOX
ACETACID
HOAC
METHYL FORMATE
THIOGLYCOLIC ACID
PERACETIC ACID
GLYCOLIC ACID
THIACYCLOPROPANE
C2H4O2
C2H4O2S
C2H4O3
C2H4O3
C2H4S
MFOR
THIOHOAC
HPER
GLYCOLAC
THIIRANE
MEOFO
MFORMAT
HOPERAC
PERACID
CLDFET
C2H3F3
I-5-5
Component Name
Formula
Library Name
BROMOETHANE
ETHYL CHLORIDE
2-CHLOROETHANOL
CHLOROMETHYL METHYL ETHER
ETHYL FLUORIDE
C2H5Br
C2H5Cl
C2H5ClO
C2H5ClO
C2H5F
ETBR
CLE
CLEA
CMME
ETFL
ETHYL IODIDE
ETHYLENEIMINE
N-METHYLFORMAMIDE
ACETAMIDE
NITROETHANE
C2H5I
C2H5N
C2H5NO
C2H5NO
C2H5NO2
EIOD
ENIM
NMF
ACTAMIDE
NTRETH
GLYCINE
ETHANE
DIMETHYLALUMINUM CHLORIDE
DIMETHYLDICHLOROSILANE
ETHANOL
C2H5NO2
C2H6
C2H6AlCl
C2H6Cl2Si
C2H6O
GLYCINE
ETHANE
DMEALCL
DMDCLSI
ETHANOL
DIMETHYL ETHER
DIMETHYL SULFOXIDE
2-MERCAPTOETHANOL
ETHYLENE GLYCOL
DIMETHYL SULFATE
C2H6O
C2H6OS
C2H6OS
C2H6O2
C2H6O4S
ETHYL MERCAPTAN
DIMETHYL SULFIDE
DIMETHYL DISULFIDE
1,2-ETHANEDITHIOL
ETHYLAMINE
C2H5BR
CLETHANE
CLETOH
EBROMID
EFLUORID
ETHNIMIN
ETHN
C2
ETOH
EA
DME
DMSO
2MERETOH
EG
DMESULF
DMETHER
ME
ETLNGLYC
DOWTSR1
C2H6S
C2H6S
C2H6S2
C2H6S2
C2H7N
ETSH
DMS
DMDS
12EDTHIO
EAMN
ETHIOL
C2H6S
DMDIS
EMCAPT
DMSULFID
DMDSULF
DIMETHYLAMINE
MONOETHANOLAMINE
AMMONIUM ACETATE
ETHYLENEDIAMINE
AMMONIUM OXALATE
C2H7N
C2H7NO
C2H7NO2
C2H8N2
C2H8N2O4
DMAM
MEA
AMACET
ENDM
AMOXALT
DMAMIN
ETNLAMIN
DMAMINE
DMEA
ETLNDAM
ETLDAMIN
1,2-ETHANE DIPHOSPHONIC ACID

DIMETHYL SILANE
CYANOGEN
1,3-DICHLOROHEXAFLUOROPROPANE
CYANURIC CHLORIDE
C2H8O6P2
C2H8Si
C2N2
C3Cl2F6
C3Cl3N3
DC2DPHAC
DMESI
CNCN
R216CA
CYANURCL
I-5-6
EHXAALC
EAMINE
MEAH
CYANOGEN
Component Name
Formula
Library Name
HEXAFLUOROPROPYLENE
HEXAFLUOROACETONE
OCTAFLUOROPROPANE
MALONONITRILE
PROPARGYL CHLORIDE
C3F6
C3F6O
C3F8
C3H2N2
C3H3Cl
C3F6
PFDMK
PFC3
MALONTRL
PPARCL
1,1,1,2,2-PENTAFLUOROPROPANE
ACRYLONITRILE
OXAZOLE
THIAZOLE
METHYLACETYLENE
PROPADIENE
C3H3F5
C3H3N
C3H3NO
C3H3NS
C3H4
C3H4
R245
ACRN
OAZL
THIA
PRPY
ALEN
2,3-DICHLOROPROPENE
1,3-DICHLOROPROPENE
PROPARGYL ALCOHOL
ACROLEIN
VINYL FORMATE
C3H4Cl2
C3H4Cl2
C3H4O
C3H4O
C3H4O2
23PE
13PE
PRPGLALC
ACRH
VFOR
ACRYLIC ACID
beta-PROPIOLACTONE
ETHYLENE CARBONATE
PYRUVIC ACID
MALONIC ACID
C3H4O2
C3H4O2
C3H4O3
C3H4O3
C3H4O4
3-CHLOROPROPENE
2-CHLOROPROPENE
alpha-EPICHLOROHYDRIN
ETHYL CHLOROFORMATE
METHYL CHLOROACETATE
PFPRLN
C3F6O
PFPROPAN
ACRYNTRL
OXAZOL
THIAZL
PROPYNE
ALLENE
OXAZOLE
THIAZOLE
MACETYLN
PROPDIEN
13CLPE
13DCLPRE
ACROLN
VFORMAT
ACROLEIN
VFO
HACR
PRLC
ETLNCARB
PYRUVIC
MALONIC
ACRYLIC
BPRPLCTN
13DIO2ON
ACRLACID
C3H5Cl
C3H5Cl
C3H5ClO
C3H5ClO2
C3H5ClO2
ACL
2CPE
EPCH
ETCLFORM
MCLA
ALLYLCL
2CLPRPEN
1CL23EPP
1,2,3-TRICHLOROPROPANE
PROPIONITRILE
LACTONITRILE
HYDRACRYLONITRILE
ACRYLAMIDE
C3H5Cl3
C3H5N
C3H5NO
C3H5NO
C3H5NO
TCPR
PRNT
LCNL
HYAN
ACRYAMDI
C3H5CL3
PRPNITRL
LACNITRL
HYDACRNI
2PROAMD
123CLPRP
NITROGLYCERINE
CYCLOPROPANE
PROPYLENE
1,1-DICHLOROPROPANE
1,3-DICHLOROPROPANE
C3H5N3O9
C3H6
C3H6
C3H6Cl2
C3H6Cl2
NITRGLYC
CYPR
PRLN
11PR
13PR
CYPROPAN
PROPYLEN
CYC3
PRPYLN
ACRA
MECLACET
PROPENE
I-5-7
Component Name
Formula
Library Name
1,2-DICHLOROPROPANE
2,3-DICHLOROPROPYL ALCOHOL
MELAMINE
1,2-PROPYLENE OXIDE
ACETONE
C3H6Cl2
C3H6Cl2O
C3H6N6
C3H6O
C3H6O
12PR
CLPA
MELAMINE
PO
DMK
12CLPR
23CLPA
12DCLPRP
23CLPALC
PROXID
ACETONE
PRO
METHYL VINYL ETHER

ALLYL ALCOHOL
n-PROPIONALDEHYDE
1,3-PROPYLENE OXIDE
METHYL ACETATE
C3H6O
C3H6O
C3H6O
C3H6O
C3H6O2
VME
AA
PRH
13PO
MEAC
VMETHER
ALLYLALC
PRPALD
13PROXID
MACTAT
ETHYL FORMATE
PROPIONIC ACID
ACETOL
2,3-EPOXY-1-PROPANOL
3-MERCAPTOPROPIONIC ACID
C3H6O2
C3H6O2
C3H6O2
C3H6O2
C3H6O2S
ETFO
HPRP
ACETOL
GLYCIDE
MERPRO
DIMETHYL CARBONATE
TRIOXANE
LACTIC ACID
METHOXYACETIC ACID
2-BROMOPROPANE
C3H6O3
C3H6O3
C3H6O3
C3H6O3
C3H7Br
DMCARB
TRIOXANE
HLAC
METOXYAC
2BRPRPAN
1-BROMOPROPANE
n-PROPYL CHLORIDE
ISOPROPYL CHLORIDE
n-PROPYL IODIDE
C3H7Br
C3H7Cl
C3H7Cl
C3H7I
1BRPRPAN
1CLP
2CLP
1IPRPAN
ISOPROPYL IODIDE
PROPYLENEIMINE
ALLYLAMINE
N-METHYLACETAMIDE
N,N-DIMETHYLFORMAMIDE
C3H7I
C3H7N
C3H7N
C3H7NO
C3H7NO
2IPRPAN
PROPINM
ALLAMINE
NMAMIDE
DMF
2-NITROPROPANE
1-NITROPROPANE
PROPANE
n-PROPANOL
METHYL ETHYL ETHER
C3H7NO2
C3H7NO2
C3H8
C3H8O
C3H8O
2NIP
1NTRPR
PROPANE
PROPANOL
MEE
C3H7NO2
2NOPRPAN
PROP
NPRA
MEETHER
C3
PRPLALC
ISOPROPANOL
METHYLAL
2-METHOXYETHANOL
C3H8O
C3H8O2
C3H8O2
C3H8O2
C3H8O2
IPA
DMMN
12PG
13PG
MXEA
IPROPNOL
METHYLAL
PG
13PRDIOL
2MXEA
2PROPNOL IPRPALC
DMXMETH
N
12PROPDI
PRPLNGLY
PROPALD
OXETANE
TRMEOXID
EFORMAT
PRPIONIC
PROPACID
HOPR
TRIOXIN
HOLAC
LACTIC
LACACID
1CLPRP
2CLPRP
DMFAMID
PROH
2MXETHNL
I-5-8
Component Name
Formula
Library Name
GLYCEROL
2-PROPANETHIOL
n-PROPYLMERCAPTAN
METHYL ETHYL SULFIDE
TRIMETHYLALUMINUM
C3H8O3
C3H8S
C3H8S
C3H8S
C3H9Al
GLOL
PR1THIOL
PR2THIOL
MESD
TMALUM
TRIMETHYLGALLIUM
TRIMETHYLCHLOROSILANE
ISOPROPYLAMINE
TRIMETHYLAMINE
n-PROPYLAMINE
C3H9Ga
C3H9ClSi
C3H9N
C3H9N
C3H9N
TMGALL
TMECLSI
IPAM
TMAM
NPAM
METHYL ETHANOLAMINE
1-AMINO-2-PROPANOL
3-AMINO-1-PROPANOL
TRIMETHYL PHOSPHATE
1,2-PROPANEDIAMINE
C3H9NO
C3H9NO
C3H9NO
C3H9O4P
C3H10N2
MEETAM
IPAA
PRAA
TMEPHOS
12PRODAM
TRIMETHYL SILANE
1,2-DICHLOROHEXAFLUOROCYCLOBUTANE
TETRACHLOROTHIOPHENE
HEXACHLORO-1,3-BUTADIENE
OCTAFLUOROCYCLOBUTANE
C3H10Si
C4Cl2F6
C4Cl4S
C4Cl6
C4F8
OCTAFLUORO-2-BUTENE
DECAFLUOROBUTANE
MALEIC ANHYDRIDE
VINYLACETYLENE
2,3-DICHLORO-1,3-BUTADIENE
GLYCEROL
GLYCERIN
MESULFID
IPRAMIN
TMAMIN
PRAMIN
IPRAMINE
TRIMAMIN
PRAMINE
1AM2PRP
NPRAAM
3AM1PRP
TMESI
12DCHFCB
TCLTHIO
PCBD
R318
C4CL6
C318
HXCL13BD
PFCYBUTN
C4F8
C4F10
C4H2O3
C4H4
C4H4Cl2
OFC4
PFC4
MANH
VAC
23CD
PFBUTEN
PFBUTAN
MALEANHD
VACETYLN
23DCL13B
SUCCINONITRILE
FURAN
DIKETENE
SUCCINIC ANHYDRIDE
MALEIC ACID
C4H4N2
C4H4O
C4H4O2
C4H4O3
C4H4O4
C4NT
FRAN
DIKT
SUCAND
HOMA
ETCYANID
FURAN
DIKETENE
C4DOAND
MALEACID
SUCCINIT
FUMARIC ACID
THIOPHENE
1-CHLORO-1,3-BUTADIENE
CHLOROPRENE
2,3,4-TRICHLOROBUTENE-1
C4H4O4
C4H4S
C4H5Cl
C4H5Cl
C4H5Cl3
HOFU
THIO
CLBD
2BD
TCBE
FUMACID
C4H4S
1CLBD
2CLBD
C4H5CL3
FUMARIC
THIOPHEN
1CL13BD
2CL13BD
234TCLB1
DFBUTAN
MANHYD
MALEIC
I-5-9
Component Name
Formula
Library Name
VINYLACETONITRILE
trans-CROTONITRILE
METHACRYLONITRILE
cis-CROTONITRILE
PYRROLE
C4H5N
C4H5N
C4H5N
C4H5N
C4H5N
ALCN
CRTN
MACRLNIT
CCTRN
PYRR
2,2-IMINOBIS-ACETONITRILE
ACROLEIN CYANOHYDRIN
METHYL CYANOACETATE
DIMETHYLACETYLENE
1,2-BUTADIENE
C4H5N3
C4H5NO
C4H5NO2
C4H6
C4H6
DENITRAM
CRCN
MECYAC
BTY2
12BD
1,3-BUTADIENE
ETHYLACETYLENE
3,4-DICHLORO-1-BUTENE
C4H6
C4H6
C4H6Cl2
C4H6Cl2
C4H6Cl2
1,4-DICHLORO-cis-2-BUTENE
2,5-DIHYDROFURAN
trans-CROTONALDEHYDE
METHACROLEIN
DIVINYL ETHER
ALLCND
TCRONTRL
ALCYANID
PYRROLE
ACRLCN
ACROLNCN
DMACETLN
12BUTD
2BUTYNE
13BD
BTY1
34CE
13CT
14CT
13BUTD
EACETYLN
34DCLBE1
13DCLBET
14DCLBET
BIVINYL
1BUTYNE
C4H6Cl2
C4H6O
C4H6O
C4H6O
C4H6O
14CC
25DHYFUR
CRTA
MACR
VNET
CRTALD
MACRLN
VINETH
CROTALD
MACROLN
VIETHER
gamma-BUTYROLACTONE
2-BUTYNE-1,4-DIOL
METHACRYLIC ACID
VINYL ACETATE
trans-CROTONIC ACID
C4H6O2
C4H6O2
C4H6O2
C4H6O2
C4H6O2
GBLAC
2BTYDIO
HOME
VACT
HOTC
GBUTRLAC
MEACRIC
VACTAT
TCROTIC
VA
2BUTEIC
cis-CROTONIC ACID
METHYL ACRYLATE
PROPYLENE CARBONATE
SULFOLENE
ACETIC ANHYDRIDE
C4H6O2
C4H6O2
C4H6O3
C4H6O2S
C4H6O3
HOCC
MACA
PROPCARB
SULFLENE
AC2O
CCROTIC
MEACA
MACRYLAT
PROPYLENE CARBONATE
DIMETHYL OXALATE
SUCCINIC ACID
MALIC ACID
DIGLYCOLIC ACID
C4H6O3
C4H6O4
C4H6O4
C4H6O5
C4H6O5
PROPCARB
DMOT
HSUC
MALIC
DIGLYCOL
TARTARIC ACID
3-CHLOROBUTENE-1
1-CHLOROBUTENE-2(CIS)
ETHYLCHLOROACETATE
DIMETHYLCHLOROSILANE
C4H6O6
C4H7Cl
C4H7Cl
C4H7ClO2
C2H7ClSi
TARTARIC
3BE1
1BEC
ETCLACET
DMCLSI
I-5-10
ACETANHD
DMOXLAT
SUCCINIC
SUCCNAC
HOSC
3CLBUTE1
1CLB2CIS
Component Name
Formula
Library Name
ISOBUTYRONITRILE
n-BUTYRONITRILE
2-PYRROLIDONE
2-METHACRYLAMIDE
ACETONE CYANOHYDRIN
C4H7N
C4H7N
C4H7NO
C4H7NO
C4H7NO
2MPRNIT
BUTR
2PYRO
2MEAMIDE
ACCN
3-METHOXYPROPIONITRILE
1-BUTENE
METHYLCYCLOPROPANE
CYCLOBUTANE
cis-2-BUTENE
C4H7NO
C4H8
C4H8
C4H8
C4H8
3MOXYNIT
BUT1
MCYP
CYBU
BTC2
1BUTENE
MCYPRPAN
CYCBUTAN
C2BUTENE
ISOBUTENE
trans-2-BUTENE
2,3-DICHLOROBUTANE
1,2-DICHLOROBUTANE
1,4-DICHLOROBUTANE
C4H8
C4H8
C4H8Cl2
C4H8Cl2
C4H8Cl2
IBTE
BTT2
23CB
12CB
14CB
ISOBUTEN
T2BUTENE
23DCLBN
12DCLBN
14DCLBN
IBUTENE
n-BUTYRALDEHYDE
ETHYL VINYL ETHER
1,2-EPOXYBUTANE
TETRAHYDROFURAN
ISOBUTYRALDEHYDE
C4H8O
C4H8O
C4H8O
C4H8O
C4H8O
BALD
VEE
1BTO
THF
IBUH
BUTRALD
VEETHER
12EPC4
TEHFURAN
IBALD
BUH
METHYL ETHYL KETONE

n-BUTYRIC ACID
cis-2-BUTENE-1,4-DIOL
ACETALDOL
trans-2-BUTENE-1,4-DIOL
C4H8O
C4H8O2
C4H8O2
C4H8O2
C4H8O2
MEK
HBTR
C2BTDIOL
ACETALDL
T2BTDIOL
2BUTANON
BUTYRIC
CC4DI
TC4DI
ETHYL ACETATE
ISOBUTYRIC ACID
METHYL PROPIONATE
n-PROPYL FORMATE
1,4-DIOXANE
C4H8O2
C4H8O2
C4H8O2
C4H8O2
C4H8O2
EOAC
HIBU
MOPR
PRFO
DOXN
ETOAC
IBUTYRIC
MEOPR
PROFO
14DIOXAN
1,3-DIOXANE
4-HYDROXYBUTYRALDEHYDE
3-HYDROXY-2-METHYL PROPIONALDEHYDE
SULFOLANE
METHYL LACTATE
C4H8O2
C4H8O2
C4H8O2
C4H8O2S
C4H8O3
13DIOXAN
GMOXBALD
BHISBALD
SULFOLAN
MLACTATE
BNITRILE
LACTAM
ACTONCN
IBUTALD
BUTRACID
HOBU
EACTAT
HOIBUT
IBUTACID
MPRPNAT
PRFORMAT
SULFLN
I-5-11
Component Name
Formula
Library Name
TETRAHYDROTHIOPHENE
1-BROMOBUTANE
2-BROMOBUTANE
tert-BUTYL CHLORIDE
sec-BUTYL CHLORIDE
C4H8S
C4H9Br
C4H9Br
C4H9Cl
C4H9Cl
THTHIOPH
1BRBUTAN
2BRBUTAN
TBCL
2CLB
n-BUTYL CHLORIDE
ISOBUTYL CHLORIDE
1-IODOBUTANE
2-IODOBUTANE
PYRROLIDINE
C4H9Cl
C4H9Cl
C4H9I
C4H9I
C4H9N
1CLB
ISOBUTCL
1IBUTAN
2IBUTAN
PYRO
1CLBUTAN
N,N-DIMETHYLACETAMIDE
MORPHOLINE
1-NITROBUTANE
n-BUTANE
ISOBUTANE
C4H9NO
C4H9NO
C4H9NO2
C4H10
C4H10
DIMA
MRPN
1NTRBU
BUTANE
IC4
NNDMA
MRPHLN
MORPHOLN MORPH
BUTN
ISOBUTAN
NC4
IBUTANE
NBUTANE
2MPR
PIPERAZINE
ISOBUTANOL
n-BUTANOL
METHYL PROPYL ETHER
METHYL ISOPROPYL ETHER
C4H10N2
C4H10O
C4H10O
C4H10O
C4H10O
PPAZ
IBA
NBA
MPE
MIPE
PIPRAZIN
IBUOH
BUTANOL
DETLNDIA
IBUTALC
BUTLALC
IBUTANOL
BUOH
DIETHYL ETHER
sec-BUTANOL
tert-BUTANOL
ETHYLTHIOETHANOL
DIMERCAPTOETHYL ETHER
C4H10O
C4H10O
C4H10O
C4H10OS
C4H10OS2
DEE
SBA
TBA
ETHIOET
DMERETR
EETHER
SBUTANOL
TBUTANOL
ET2O
SBUTALC
TBUTALC
SBUOH
TBUOH
1,2-BUTANEDIOL
1,3-BUTANEDIOL
1,4-BUTANEDIOL
2,3-BUTANEDIOL
1,2-DIMETHOXYETHANE
C4H10O2
C4H10O2
C4H10O2
C4H10O2
C4H10O2
12BTD
13BTD
14BTD
23BTD
DMEN
EGDME
12DMXETH
2-ETHOXYETHANOL
t-BUTYL HYDROPEROXIDE
2-METHYL-1,3-PROPANEDIOL
2-METHOXY PROPANOL-1
C4H10O2
C4H10O2
C4H10O2
C4H10O2
C4H10O2
EXEA
TBUTHYPR
2M13PD
PGMMETH
MOXYPROH
2EXETHNL
CELSLV
THIODIGLYCOL
DIETHYLENE GLYCOL
DIETHYL SULFITE
DIETHYL SULFATE
ISOBUTYL MERCAPTAN
C4H10O2S
C4H10O3
C4H10O3S
C4H10O4S
C4H10S
THDGLYCL
DEG
DESULFIT
DETDSUFT
IBSH
I-5-12
TERBUCL
2CLBUTAN
PYROLIDN
2EXEALC
DEGLYCOL
Component Name
Formula
Library Name
tert-BUTYL MERCAPTAN
DIETHYL SULFIDE
n-BUTYL MERCAPTAN
sec-BUTYL MERCAPTAN
METHYL-n-PROPYL SULFIDE
C4H10S
C4H10S
C4H10S
C4H10S
C4H10S
2MPR2THL
DES
BU1THIOL
2MPR1THL
MPSULFD
DIETHYL DISULFIDE
tert-BUTYLAMINE
ISOBUTYLAMINE
DIETHYLAMINE
n-BUTYLAMINE
C4H10S2
C4H11N
C4H11N
C4H11N
C4H11N
DEDS
TBTAMINE
IBAM
DEAM
BAMN
sec-BUTYLAMINE
N-METHYLPYRROLIDINE
DIMETHYLETHANOLAMINE
DIETHANOLAMINE
C4H11N
C4H11N
C4H11NO
C4H11NO2
C4H11NO2
SBTAMINE
NMPYRDIN
DMEETAM
DGA
DEA
1,4-AMINO-1-BUTANOL
N-AMINOETHYL ETHANOLAMINE
DIMETHYLDIMETHOXYSILANE
TETRAMETHYLSILANE
DIETHYLENE TRIAMINE
C4H12N2O
C4H12N2O
C4H12O2Si
C4H12Si
C4H13N3
AEEA
AMETEA
DMMOS
TEMSILAN
DETM
HEXACHLOROCYCLOPENTADIENE
PERFLUOROPENTANE
2-CHLOROPYRIDINE
FURFURAL
1-CYANOBUTADIENE
C5Cl6
C5F12
C5H4ClN
C5H4O2
C5H5N
HXCLCPD
PFPENTAN
2CLPYRD
FALD
CNBD
PYRIDINE
CYCLOPENTADIENE
2-METHYL-1-BUTENE-3-YNE
1-PENTENE-4-YNE
1-PENTENE-3-YNE
C5H5N
C5H6
C5H6
C5H6
C5H6
PYRI
CD13
2M1B3YNE
1P4YNE
1P3YNE
GLUTARONITRILE
FURFURYL ALCOHOL
GLUTARIC ANHYDRIDE
CITRACONIC ACID
ITACONIC ACID
C5H6N2
C5H6O2
C5H6O3
C5H6O4
C5H6O4
GLUTNTRL
2HMF
GLUAN
CITRONIC
ITACONIC
C4H10S
DESULFID
DEDSULFD
IBAMIN
DEAMIN
BUAMIN
IBAMINE
DEAMN
DIGLYCAM
DDEA
DDGA
DGAH
DETHNLAM DEAH
AEEAM
AEETHNLA
DETRAM
DETLNTRA
FURAL
1CNBUTD
FURFURAL
2FRALD
PYRIDINE
13CPD
FUROH
I-5-13
Component Name
Formula
Library Name
2-METHYLTHIOPHENE
3-METHYLTHIOPHENE
N-METHYLPYRROLE
ETHYL CYANOACETATE
trans-1,3-PENTADIENE
C5H6S
C5H6S
C5H7N
C5H7NO2
C5H8
2MTHIO
3MTHIO
NMPYROLE
ETCYNAC
TPND
2,3-PENTADIENE
1,2-PENTADIENE
1,4-PENTADIENE
1-PENTYNE
3-METHYL-1-BUTYNE
C5H8
C5H8
C5H8
C5H8
C5H8
23PD
12PD
14PD
PTY1
3M1BTYNE
CYCLOPENTENE
ISOPRENE
cis-1,3-PENTADIENE
2-PENTYNE
MONOSODIUM GLUTAMATE
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8NNaO4
CPE
M12B
IPRN
PPLN
PTY2
MSG
PENTAERYTHRITOL TETRANITRATE
METHYL ISOPROPENYL KETONE
ETHYLIDENE ACETONE
CYCLOPENTANONE
3-ETHYL ACROLEIN
C5H8N4O12
C5H8O
C5H8O
C5H8O
C5H8O
PETHTNTR
MIPP
MPPK
CPTN
3ECR
ACETYLACETONE
ETHYL ACRYLATE
ALLYL ACETATE
METHYL METHACRYLATE
VINYL PROPIONATE
C5H8O2
C5H8O2
C5H8O2
C5H8O2
C5H8O2
ISOPROPENYL ACETATE
GLUTARALDEHYDE
gamma-VALEROLACTONE
METHYL ACETOACETATE
LEVULINIC ACID
2-HYDROXYETHYL ACRYLATE
GLUTARIC ACID
1,2,3-TRICHLORO-2-METHYLBUTANE
I-5-14
T13PND
12PNDIEN
14PNDIEN
1PENTYNE
CYCPNTE
3M12BD
ISOPRENE
PIPRYLEN
C13PND
MIPPKET
ETIDDMK
CYPNTNON
EACRLN
3EACROLN
ADMK
EACR
AACETAT
MMAC
VPROPNAT
ACTACTON
ETACA
EACRLAT
MEMEACA
VPNAT
MMACRLAT
C5H8O2
C5H8O2
C5H8O2
C5H8O3
C5H8O3
IPPA
GLUTALD
GAMVLAC
MEACACT
HLEV
IPRPOAC
IPPACTAT
LEVULNIC
LEVULAC
HOLEV
C5H8O3
C5H8O4
C5H9Cl
C5H9Cl
C5H9Cl3
2HYACRL
HGLT
2C3M
3C2M
TCMB
GLUTARIC
2CL3MBT2
3CL2MBT1
C5H9CL3
GLTRACID
HOGLT
123CL2MB
Component Name
Formula
Library Name
VALERONITRILE
n-BUTYL ISOCYANATE
N-METHYL-2-PYRROLIDONE
L-GLUTAMIC ACID
N-METHYLTHIOPYRROLIDONE
C5H9N
C5H9NO
C5H9NO
C5H9NO4
C5H9NS
VALNITRL
BUISOCY
NMP
GLUTAMIC
NMTHIOP
M2P
trans-2-PENTENE
1-PENTENE
CYCLOPENTANE
2-METHYL-1-BUTENE
3-METHYL-1-BUTENE
C5H10
C5H10
C5H10
C5H10
C5H10
PTT2
PNT1
CP
2BT1
3BT1
T2PENTEN
1PENTENE
CYPNTANE
2M1BUTEN
3M1BUTEN
2-METHYL-2-BUTENE
cis-2-PENTENE
2,3-DICHLOROPENTANE
2,3-DICHLORO-2-METHYLBUTANE
1,5-DICHLOROPENTANE
C5H10
C5H10
C5H10Cl2
C5H10Cl2
C5H10Cl2
2BT2
PTC2
23PN
232B
15DCLPN
2M2BUTEN
C2PENTEN
23CLPN
23DCL2MB
SODIUM DIETHYLDITHIOCARBAMATE
VALERALDEHYDE
TETRAHYDROPYRAN
CYCLOPENTANOL
DIETHYL KETONE
C5H10NNaS2
C5H10O
C5H10O
C5H10O
C5H10O
NADETCAR
VALH
THDPYRAN
CYPNTNOL
DEK
METHYL ISOPROPYL KETONE

2-PENTANONE
ETHYL ALLYL ETHER
sec-BUTYLFORMATE
tert-BUTYLFORMATE
C5H10O
C5H10O
C5H10O
C5H10O2
C5H10O2
MIPK
MPK
EALLE
SBFORMAT
TBFORMAT
MIPKETON
2PNTANON
ETHYL PROPIONATE
TETRAHYDROFURFURYL ALCOHOL
METHYL ISOBUTYRATE
ISOBUTYL FORMATE
VALERIC ACID
C5H10O2
C5H10O2
C5H10O2
C5H10O2
C5H10O2
EPRT
THFA
MIBT
IBFT
HVAL
ETOPR
TEHFALC
MEIBU
IBUOFO
HOVA
EPRPNAT
n-PROPYL ACETATE
ISOPROPYL ACETATE
2-METHYLBUTYRIC ACID
ISOVALERIC ACID
NEOPENTANOIC ACID
C5H10O2
C5H10O2
C5H10O2
C5H10O2
C5H10O2
PROA
IPAC
MBUTACID
HIVA
HNEOC5
PROAC
IPROAC
HOMBUT
IVALERIC
PRACTAT
IPACTAT
VLRALD
1M2PYRLD
23DCLPNT
VALRALD
DEKETONE
MIBTRAT
IBFORMAT
VALRIC
VALRACID
I-5-15
Component Name
Formula
Library Name
METHYL n-BUTYRATE
n-BUTYL FORMATE
3-METHYL SULFOLANE
ETHYL LACTATE
DIETHYL CARBONATE
C5H10O2
C5H10O2
C5H10O2S
C5H10O3
C5H10O3
MEBU
BFORMATE
3MSULFLN
ETLACT
DECARB
MBTRAT
METHYL-3-METHOXY PROPIONATE
2-METHOXYETHYL ACETATE
2-CHLORO-2-METHYLBUTANE
1-CHLOROPENTANE
CYCLOPENTYLAMINE
C5H10O3
C5H10O3
C5H11Cl
C5H11Cl
C5H11N
MMXP
MXET
2C2M
1CLPNTAN
CYPNAMIN
M3MXPT
2MXEAT
2CL2MB
M3MXPRAT
PIPERIDINE
tert-BUTYLFORMAMIDE
ISOPENTANE
NEOPENTANE
n-PENTANE
C5H11N
C5H11NO
C5H12
C5H12
C5H12
PIPRDINE
TBUTFORM
2MB
22PR
PENTANE
ISOPNTAN
22DMPR
NC5
IPENTANE
NEOP
PNTN
METHYL ISOBUTYL ETHER

METHYL sec-BUTYL ETHER
3-METHYL-1-BUTANOL
2-METHYL-2-BUTANOL
3-METHYL-2-BUTANOL
C5H12O
C5H12O
C5H12O
C5H12O
C5H12O
MIBE
MSBE
3M1B
2M2B
3M2B
3M1BTNOL
2M2BTNOL
3M2BTNOL
3M1BA
3M1BUALC
2M2BUALC
3M2BUALC
1-PENTANOL
2-PENTANOL
3-PENTANOL
2,2-DIMETHYL-1-PROPANOL
C5H12O
C5H12O
C5H12O
C5H12O
C5H12O
PNTA
2PNA
3PNALC
22M1
MTBE
PENTANOL
2PENTNOL
AMYLALC
2PNTYALC
PNTYALC
2PNOH
22M1PRNL
METHLTBE
22M1PRA
22M1PALC
ETHYL PROPYL ETHER

2-METHYL-1-BUTANOL
ETHYL ISOPROPYL ETHER
METHYL-n-BUTYL ETHER
2,4-PENTANEDIOL
C5H12O
C5H12O
C5H12O
C5H12O
C5H12O2
EPE
2M1B
EIPE
MBE
24PNDIOL
EPRETHER
2M1BTNOL
2M1BA
2M1BUALC
1,5-PENTANEDIOL
DIETHOXYMETHANE
ETHYLENE GLYCOL MONOPROPYL ETHER
NEOPENTYL GLYCOL
2-(2-METHOXYETHOXY)ETHANOL
C5H12O2
C5H12O2
C5H12O2
C5H12O2
C5H12O3
15PNDIOL
DEXM
EGMPRE
NEOC5GLY
DEGMME
I-5-16
IC5
NEOC5
DEXMETHN
Component Name
Formula
Library Name
PENTAERYTHRITOL
n-PENTYL MERCAPTAN
PENTANE-2-THIOL
2-METHYLBUTANE-2-THIOL
METHYL-n-BUTYL SULFIDE
C5H12O4
C5H12S
C5H12S
C5H12S
C5H12S
PNTRYTOL
PN1THIOL
PN2THIOL
2MB2THL
MBSD
METHYL-t-BUTYL SULFIDE
n-PENTYLAMINE
HEXACHLOROBENZENE
HEXAFLUOROBENZENE
C5H12S
C5H13N
C5H13NO2
C6Cl6
C6F6
MTSD
PNAMINE
MDEA
HCBZ
C6F6
PERFLUOROCYCLOHEXANE
PERFLUORO-2-METHYLPENTANE
PERFLUOROHEXANE
PENTAFLUOROBENZENE
1-CHLORO-2,4-DINITROBENZENE
C6F12
C6F14
C6F14
C6HF5
C6H3ClN2O4
PFCH
PF2MP
PFHX
PNFBNZ
1CL24DNB
1,2-DICHLORO-4-NITROBENZENE
1,3,5-TRIFLUOROBENZENE
C6H3Cl2NO2
C6H3Cl3
C6H3Cl3
C6H3Cl3
C6H3F3
12DC4NB
124CLBNZ
135TCLBZ
123TCLBZ
135FBZ
1,3,5-TRINITROBENZENE
m-DIBROMOBENZENE
1,4-DIBROMOBENZENE
1,2-DIBROMOBENZENE
m-CHLORONITROBENZENE
C6H3N3O6
C6H4Br2
C6H4Br2
C6H4Br2
C6H4ClNO2
135TNBZ
13DBRBNZ
14DBRBNZ
12DBRBNZ
1CL3NBZ
MDBRBNZ
PDBRBNZ
ODBRBNZ
MCLNBZ
p-CHLORONITROBENZENE
o-CHLORONITROBENZENE
m-DICHLOROBENZENE
p-DICHLOROBENZENE
o-DICHLOROBENZENE
C6H4ClNO2
C6H4ClNO2
C6H4Cl2
C6H4Cl2
C6H4Cl2
4CL1NBZ
2CL1NBZ
MCBZ
PCBZ
OCBZ
PCLNBZ
OCLNBZ
CL2C6H4
H4C6CL2
C6H4CL2
1,4-DIFLUOROBENZENE
1,2-DIFLUOROBENZENE
1,3-DIFLUOROBENZENE
p-DINITROBENZENE
o-DINITROBENZENE
C6H4F2
C6H4F2
C6H4F2
C6H4N2O4
C6H4N2O4
14DFBNZ
12DFBZ
13DFBNZ
14DNBZ
12DNBZ
C5AMINE
NMDEA
C6CL6
PFBENZN
MDEAH
HXCLBENZ
PFBZ
C6F12
PFCYCHXN
C6F14
PFHEXANE
HFBZ
MDCLBNZN
PDCLBNZN
ODCLBNZN DOWTHRM
E
I-5-17
Component Name
Formula
Library Name
m-DINITROBENZENE
QUINONE
BROMOBENZENE
MONOCHLOROBENZENE
m-CHLOROPHENOL
C6H4N2O4
C6H4O2
C6H5Br
C6H5Cl
C6H5ClO
13DNBZ
QUINONE
BRBZ
CLBZ
3CLPHNOL
p-CHLOROPHENOL
o-CHLOROPHENOL
3,4-DICHLOROANILINE
PHENYLTRICHLOROSILANE
FLUOROBENZENE
C6H5ClO
C6H5ClO
C6H5Cl2N
C6H5Cl3Si
C6H5F
4CLPHNOL
2CLPHNOL
34DCLANL
PHTCLS
FBZ
IODOBENZENE
NITROBENZENE
NIACIN
BENZENE
m-CHLOROANILINE
C6H5I
C6H5NO2
C6H5NO2
C6H6
C6H6ClN
IBZ
NITBNZ
NIACIN
BNZN
3CLANLN
p-CHLOROANILINE
o-CHLOROANILINE
trans-DICYANO-1-BUTENE
cis-DICYANO-1-BUTENE
1,4-DICYANO-2-BUTENE
C6H6ClN
C6H6ClN
C6H6N2
C6H6N2
C6H6N2
4CLANLN
2CLANLN
TDCY1BT
CDCY2BT
14DCY2B
2,2,2-NITRILOTRIS-ACETONITRILE
m-NITROANILINE
p-NITROANILINE
o-NITROANILINE
PHENOL
C6H6N4
C6H6N2O2
C6H6N2O2
C6H6N2O2
C6H6O
TETNITAM
3NANL
4NANL
2NANL
PHOH
1,3-BENZENEDIOL
p-HYDROQUINONE
1,2-BENZENEDIOL
1,2,3-BENZENETRIOL
BENZENESULFONIC ACID
C6H6O2
C6H6O2
C6H6O2
C6H6O3
C6H6O3S
13BZDIOL
14BZDIOL
12BZDIOL
123BZTOL
BZSULFON
PHENYL MERCAPTAN
3-METHYLPYRIDINE
4-METHYLPYRIDINE
ANILINE
2-METHYLPYRIDINE
C6H6S
C6H7N
C6H7N
C6H7N
C6H7N
BZTHIOL
3MPYRDN
4MPI
ANLN
2MPYRDN
I-5-18
C6H5BR
C6H5CL
BRBENZEN
CLBENZEN
C6H5F
FBENZENE
C6H5I
IBENZENE
BENZENE
BENZOL
MNANL
PNANL
ONANL
PHENOL
C6H5OH
C6H6
PHYDQ
HOPGAL
4MPYRIDN
ANILIN
ANILINE
Component Name
Formula
Library Name
SULFANILIC ACID
1,3-CYCLOHEXADIENE
METHYLCYCLOPENTADIENE
1,4-CYCLOHEXADIENE
PHENYLHYDRAZINE
C6H7NO3S
C6H8
C6H8
C6H8
C6H8N2
SULFANON
13CD
MCYPD
14CD
PHHYDRZN
ADIPONITRILE
p-PHENYLENEDIAMINE
METHYLGLUTARONITRILE
o-PHENYLENEDIAMINE
m-PHENYLENEDIAMINE
C6H8N2
C6H8N2
C6H8N2
C6H8N2
C6H8N2
ADIPNTRL
4PHDIAM
MGLUTNTR
2PHDIAM
3PHDIAM
BIS(CYANOETHYL)ETHER
DIMETHYL MALEATE
ASCORBIC ACID
CITRIC ACID
2-HEXYNE
C6H8N2O
C6H8O4
C6H8O6
C6H8O7
C6H10
BCYEET
DMMALATE
ASCORBIC
CITRIC
2HEXYNE
3-HEXYNE
2,3-DIMETHYL-1,3-BUTADIENE
trans,trans-2,4-HEXADIENE
CYCLOHEXENE
1,5-HEXADIENE
C6H10
C6H10
C6H10
C6H10
C6H10
3HEXYNE
23DM13BD
24HD
CHEN
15HD
cis,trans-2,4-HEXADIENE
1-HEXYNE
1,2-HEXADIENE
1,4-HEXADIENE
C6H10
C6H10
C6H10
C6H10
C6H10
CT24HDIE
1HEXYNE
12HD
14HD
1MCPEN
ISOMESITYL OXIDE
CYCLOHEXANONE
MESITYL OXIDE
C6H10
C6H10
C6H10O
C6H10O
C6H10O
3MCPEN
4MCPEN
IMO
CHON
MO
n-PROPYL ACRYLATE
ETHYL METHACRYLATE
CAPROLACTONE
PROPIONIC ANHYDRIDE
ETHYL ACETOACETATE
C6H10O2
C6H10O2
C6H10O2
C6H10O3
C6H10O3
PRPACR
EMACRLAT
CPLT
PRANHYD
OEBT
13CHXD
PPHDIAM
OPHDIAM
MPHDIAM
24HXDIEN
CHXEN
15HXDIEN
CYCLHXEN
IMESOXID
CHXANONE
MESOXD
CAPLTN
CAPLCTON
3OEBRT
EACACTAT
I-5-19
Component Name
Formula
Library Name
2-HYDROXYETHYL METHACRYLATE
ETHYLIDENE DIACETATE
ADIPIC ACID
DIETHYL OXALATE
ETHYLENE GLYCOL DIACETATE
C6H10O3
C6H10O4
C6H10O4
C6H10O4
C6H10O4
2HEMA
EDDT
HADI
DEOXLAT
EGDIACT
DIALLYLAMINE
HEXANENITRILE
CYCLOHEXANONE OXIME
epsilon-CAPROLACTAM
ISOPENTYL FORMATE
C6H11N
C6H11N
C6H11NO
C6H11NO
C6H11O2
DIALAM
CAPNTRL
CYHXNOXM
CPLC
IPNFORMT
2-ETHYL-1-BUTENE
METHYLCYCLOPENTANE
CYCLOHEXANE
2-METHYL-1-PENTENE
C6H12
C6H12
C6H12
C6H12
C6H12
3-METHYL-1-PENTENE
4-METHYL-1-PENTENE
cis-2-HEXENE
EDDACT
ADIPIC
EDDACTAT
CAPLAC
CAPLACTM
2EB1
MCP
CH
23B1
2M1P
2E1BUTEN
MCYCPNT
CYHEXANE
23M1BUTE
2M1PNTEN
CYHX
C6H12
C6H12
C6H12
C6H12
C6H12
3M1P
4PN1
HXC2
4PC2
4PT2
3M1PNTEN
4M1PNTEN
C2HEXENE
4MC2PNTE
4MT2PNTE
2-METHYL-2-PENTENE
cis-3-HEXENE
trans-2-HEXENE
trans-3-HEXENE
C6H12
C6H12
C6H12
C6H12
C6H12
2PN2
3PC2
HXC3
HXT2
HXT3
2M2PNTEN
3MC2PNTE
C3HEXENE
T2HEXENE
T3HEXENE
1-HEXENE
DI-3-CHLOROPROPYL ETHER
C6H12
C6H12
C6H12
C6H12
C6H12Cl2O
HXE1
33B1
23B2
3PT2
DCPE
1HEXENE
33M1BUTE
23M2BUTE
D3CLPRE
DICHLORODIISOPROPYL ETHER
bis-2-CHLOROETHYL-2-CHLOROETHYL
PHOSPHONATE
TRIETHYLENEDIAMINE
AMINOCAPRONITRILE
HEXAMETHYLENETETRAMINE
C6H12Cl2O
DCIE
C6H12Cl3O3P B2C2CPHN
I-5-20
C6H12N2
C6H12N2
C6H12N4
DCLIPE
CYC6
DCLDIPE
TEDIAMN
AMCPNTRL
HMTETAMN
Component Name
Formula
Library Name
METHYL ISOBUTYL KETONE

CYCLOHEXANOL
BUTYL VINYL ETHER
1-HEXANAL
METHYL sec-BUTYL KETONE
C6H12O
C6H12O
C6H12O
C6H12O
C6H12O
MIBK
CHXA
BVETHER
CAPALD
MSBK
METHYL tert-BUTYL KETONE

ETHYL ISOPROPYL KETONE
2-HEXANONE
3-HEXANONE
METHYL VALERATE
C6H12O
C6H12O
C6H12O
C6H12O
C6H12O2
MTBK
EIPK
MBK
EPK
MVALERAT
n-PENTYL FORMATE
ISOBUTYL ACETATE
2-ETHYL BUTYRIC ACID
n-HEXANOIC ACID
ETHYL n-BUTYRATE
C6H12O2
C6H12O2
C6H12O2
C6H12O2
C6H12O2
PNFORMAT
IBAC
DEAA
HCAP
BACA
n-PROPYL PROPIONATE
tert-BUTYL ACETATE
sec-BUTYL ACETATE
CYCLOHEXYL PEROXIDE
DIACETONE ALCOHOL
C6H12O2
C6H12O2
C6H12O2
C6H12O2
C6H12O2
n-BUTYL ACETATE
ETHYL ISOBUTYRATE
NEOHEXANOIC ACID
ACETATE
6-HYDROXYHEXANOIC ACID
MIBKETON
CHXANOL
CHXLALC
HEXANAL
IBUAC
2EBUACID
HEXANOIC
BUACA
IBACTAT
PRPR
TBACTATE
SBACTAT
CYHPEROX
DAA
PROPR
PRPRPNAT
C6H12O2
C6H12O2
C6H12O2
C6H12O3
C6H12O3
BACT
EIBU
NEOC6HO
PGMMEAC
6HOXC6OH
BACTAT
ETOIBU
EIBRAT
PARALDEHYDE
2-ETHOXYETHYL ACETATE
HYDROXYCAPROIC ACID
DEXTROSE
INOSITOL
C6H12O3
C6H12O3
C6H12O3
C6H12O6
C6H12O6
PALD
EEAT
HYOXCAPR
DEXTROSE
INOSITOL
PARALD
CELSLVAT
PARAL
2EXEACTT
CYCLOHEXYL MERCAPTAN
1-BROMOHEXANE
1-CHLOROHEXANE
HEXAMETHYLENEIMINE
CYCLOHEXYLAMINE
C6H12S
C6H13Br
C6H13Cl
C6H13N
C6H13N
CYC6THIO
1BRHXAN
1CLHXANE
HXMNIMIN
CHXAMINE
CHOL
CAPRACID
EBTYRAT
CAPROIC
EBAT
DACTNALC
EIBT
I-5-21
Component Name
Formula
Library Name
2,3-DIMETHYLBUTANE
n-HEXANE
2-METHYLPENTANE
3-METHYLPENTANE
2,2-DIMETHYLBUTANE
C6H14
C6H14
C6H14
C6H14
C6H14
23MB
HEXANE
2MP
3MP
22MB
23DMB
HXAN
2MPENTAN
3MPENTAN
22DMB
LYSINE
2-HEXANOL
1-HEXANOL
DIISOPROPYL ETHER
C6H14N2O2
C6H14O
C6H14O
C6H14O
C6H14O
LYSINE
2HEXANOL
MTAE
HXA
DIPE
TAME
HEXANOL
IPRETHER
4-METHYL-2-PENTANOL
n-BUTYL ETHYL ETHER
2-METHYL-1-PENTANOL
DI-n-PROPYL ETHER
2-ETHYL-1-BUTANOL
METHYL-n-PENTYL ETHER
C6H14O
C6H14O
C6H14O
C6H14O
C6H14O
C6H14O
MIBC
EBE
2M1PNALC
DPRE
2E1BALC
MC5E
4M2PNALC
EBETHER
HEXYLENE GLYCOL
1,6-HEXANEDIOL
2-BUTOXYETHANOL
ETHYLENE GLYCOL DIETHYL ETHER
ACETAL
C6H14O2
C6H14O2
C6H14O2
C6H14O2
C6H14O2
HXG
16HXDIOL
2BEA
EGDEE
DEOE
HEXLNGLY
DI-n-PROPYL SULFONE
TRIMETHYLOLPROPANE
DIPROPYLENE GLYCOL
DIETHYLENE GLYCOL DIMETHYL ETHER
2-(2-ETHOXYETHOXY)ETHANOL
C6H14O2S
C6H14O3
C6H14O3
C6H14O3
C6H14O3
DPSULFON
TMLPROP
DIPRPGLY
DEGDME
DEGMEE
TRIETHYLENE GLYCOL
SORBITOL
HEXANE-2-THIOL
n-HEXYLMERCAPTAN
DI-n-PROPYL SULFIDE
C6H14O4
C6H14O6
C6H14S
C6H14S
C6H14S
TEG
SORBITOL
HX2THIOL
HX1THIOL
DPRS
ETHYL-t-BUTYL SULFIDE
METHYL-t-PENTYL SULFIDE
DI-n-PROPYLDISULFIDE
TRIETHYL ALUMINUM
ETHYL ALUMINUM SESQUICHLORIDE
C6H14S
C6H14S
C6H14S2
C6H15Al
C6H15Al2Cl3
ETBS
MTPS
DPDSULFD
TEAL
EASESCL
I-5-22
NC6
HEXLALC
IPE
2BUTXEA
BXEA
ACETAL
11DEXETN
HXGLYCRL
TREG
Component Name
Formula
Library Name
DIISOPROPYLAMINE
n-HEXYLAMINE
DI-n-PROPYLAMINE
TRIETHYLAMINE
6-AMINOHEXANOL
C6H15N
C6H15N
C6H15N
C6H15N
C6H15NO
DIPAMINE
HXAMINE
DPAM
TEAM
6AMHEXOL
DIISOPROPANOLAMINE
N-AMINOETHYL PIPERAZINE
TRIETHANOLAMINE
TRIETHYL PHOSPHATE
HEXAMETHYLENEDIAMINE
C6H15NO2
C6H15N3
C6H15O3N
C6H15O4P
C6H16N2
DIPA
AEPZ
TEA
TEPHOSPT
HMDA
HEXAMETHYL PHOSPHORAMIDE
TRIETHYLENE TETRAMINE
HEXAMETHYLDISILOXANE
HEXAMETHYLCYCLOTRISILOXANE
HEXAMETHYLDISILAZANE
C6H18N3OP
C6H18N4
C6H18OSi2
C6H18O3Si3
C6H19NSi2
HMPHSAMD
TETM
HMSLOXAN
HMETCYSI
HMEDSILZ
PERFLUOROTOLUENE
PERFLUOROMETHYLCYCLOHEXANE
PERFLUOROHEPTANE
4-CHLORO-3-NITROBENZOTRIFLUORIDE
2,4-DICHLOROBENZOTRIFLUORIDE
C7F8
C7F14
C7F16
C7H3ClF3NO2
C7H3Cl2F3
PRFTOL
FMCH
PFHP
4CL3NBTF
24CLBTRF
3,4-DICHLOROPHENYL ISOCYANATE
p-CHLOROBENZOTRIFLUORIDE
m-CHLOROBENZOYL CHLORIDE
3-NITROBENZOTRIFLUORIDE
BENZOYL CHLORIDE
C7H3Cl2NO
C7H4ClF3
C7H4Cl2O
C7H4F3NO2
C7H5ClO
34CLPISO
PCLBTRF
MCLBZLCL
3NBZTF
BNZOYLCL
o-CHLOROBENZOIC ACID
BENZOTRICHLORIDE
BENZOTRIFLUORIDE
SODIUM BENZOATE
BENZONITRILE
C7H5ClO2
C7H5Cl3
C7H5F3
C7H5NaO2
C7H5N
OCLBZOIC
BZTRICL
BZTRIF
NABENZOT
BNZNITRL
TETRYL
PHENYL ISOCYANATE
2-MERCAPTOBENZOTHIAZOLE
2,4,6-TRINITROTOLUENE
2,4-DICHLOROTOLUENE
C7H5N5O8
C7H5NO
C7H5NS2
C7H5N3O6
C7H6Cl2
TETRYL
PHISOCN
2MBSTHZL
TNT
24CLTOL
BENZYL DICHLORIDE
3,4-DINITROTOLUENE
3,5-DINITROTOLUENE
2,6-DINITROTOLUENE
2,5-DINITROTOLUENE
C7H6Cl2
C7H6N2O4
C7H6N2O4
C7H6N2O4
C7H6N2O4
BZDCL
34DNT
35DNT
26DNT
25DNT
C6AMINE
DPRAMIN
TEAMIN
DPRAMINE
TRIEAMIN
DIIPRPAM
AEPIPZ
TRENLAM
DDIPA
AEPIPRAZ
TEAH
HXMDAM
HXMDAMIN
TRETAM
TRETAMIN
C7F14
C7F16
PFMCYCHP
PFHEPTAN
DIPAH
I-5-23
Component Name
Formula
Library Name
2,4-DINITROTOLUENE
BENZALDEHYDE
BENZOIC ACID
SALICYLALDEHYDE
p-HYDROXY BENZALDEHYDE
C7H6N2O4
C7H6O
C7H6O2
C7H6O2
C7H6O2
24DNT
BZAL
BNZACID
SALAL
PHYDBZA
SALICYLIC ACID
p-BROMOTOLUENE
1,3-BROMOTOLUENE
1,2-BROMOTOLUENE
o-CHLOROTOLUENE
C7H6O3
C7H7Br
C7H7Br
C7H7Br
C7H7Cl
SALACID
PBRTOL
MBRTOL
OBRTOL
OCLTOL
3-CHLOROTOLUENE
p-CHLOROTOLUENE
BENZYL CHLORIDE
2-FLUOROTOLUENE
3-FLUOROTOLUENE
C7H7Cl
C7H7Cl
C7H7Cl
C7H7F
C7H7F
MCLTOL
PCLTOL
BNZLCL
OFTOL
MFTOL
4-FLUOROTOLUENE
FORMANILIDE
m-NITROTOLUENE
o-NITROTOLUENE
p-NITROTOLUENE
C7H7F
C7H7NO
C7H7NO2
C7H7NO2
C7H7NO2
PFTOL
FORMALID
2NT
3NT
4NT
o-NITROANISOLE
TOLUENE
PHENYLMETHYLDICHLOROSILANE
BENZYL ALCOHOL
m-CRESOL
C7H7NO3
C7H8
C7H8Cl2Si
C7H8O
C7H8O
2NANSOL
TOLU
PHMDCLS
BNZA
MCAC
o-CRESOL
p-CRESOL
ANISOLE
GUAIACOL
3-METHOXYPHENOL
C7H8O
C7H8O
C7H8O
C7H8O2
C7H8O2
OCAC
PCAC
MPHE
GUAIACOL
MOXYPHL
p-METHOXYPHENOL
p-TOLUENESULFONIC ACID
o-TOLUENESULFONIC ACID
BENZYL MERCAPTAN
2,6-DIMETHYLPYRIDINE
C7H8O2
C7H8O3S
C7H8O3S
C7H8S
C7H9N
PMEOXPHN
PTSULFON
OTSULFON
BENZYLTH
26PI
I-5-24
BNZALD
BENZOIC
HBNZ
HOBZ
SALCYLIC
PHFAMIDE
2NTRTOL
3NTRTOL
4NTRTOL
TOLUENE
BNZLALC
MCRESOL
MCRESAC
OCRESOL
PCRESOL
ANISOLE
OCRESAC
PCRESAC
MPHETHER
26DMPYRD
Component Name
Formula
Library Name
BENZYLAMINE
m-TOLUIDINE
o-TOLUIDINE
C7H9N
C7H9N
C7H9N
C7H9N
C7H9N
34PI
35PI
BZAM
MTLU
OTLU
34DMPYRD
35DMPYRD
BZAMIN
MTOLUIDN
OTOLUIDN
p-TOLUIDINE
N-METHYLANILINE
2-ETHYLPYRIDINE
4-ETHYLPYRIDINE
C7H9N
C7H9N
C7H9N
C7H9N
C7H9N
PTLU
MPAM
2EPYRD
4EPYRD
23PI
PTOLUIDN
MPHAMN
o-ANISIDINE
2-NORBORNENE
TOLUENEDIAMINE
C7H9N
C7H9N
C7H9NO
C7H10
C7H10N2
24PI
25PI
OMANILIN
NORBRENE
TLDA
24DMPYRD
25DMPYRD
ALLYL METHACRYLATE
CYCLOHEXYL ISOCYANATE
2-METHYL-2,4-HEXADIENE
CYCLOHEPTENE
1-HEPTYNE
C7H10O2
C7H11NO
C7H12
C7H12
C7H12
ALYMACRY
CYC6ICN
2H24
CYHEPTEN
1HEPTYNE
2M24HXD
CYCLOHEPTANONE
ISOBUTYL ACRYLATE
n-BUTYL ACRYLATE
n-PROPYL METHACRYLATE
CYCLOHEXYL FORMATE
C7H12O
C7H12O2
C7H12O2
C7H12O2
C7H12O2
CYHPTNON
ISOBACR
BACR
PRMACLAT
CYC6FORM
BUOAC
DIETHYL MALONATE
PIMELIC ACID
cis-1,2-DIMETHYLCYCLOPENTANE
trans-1,2-DIMETHYLCYCLOPENTANE
trans 1,3-DIMETHYLCYCLOPENTANE
C7H12O4
C7H12O4
C7H14
C7H14
C7H14
DETMAL
PIMELIC
1C2C
1T2C
1T3M
1C2MCP
1T2MCP
1T3MCP
CYCLOHEPTANE
1,1-DIMETHYLCYCLOPENTANE
cis-3-HEPTENE
2,3,3-TRIMETHYL-1-BUTENE
1-HEPTENE
C7H14
C7H14
C7H14
C7H14
C7H14
CHP
11CP
HPT3
TRTE
HPT1
CYHEPTAN
11MCYPNT
C3HEPTEN
TRIPTENE
1HEPTENE
BNZLAMIN
MPHAMINE
23DMPYRD
TOLDAM
BACRLAT
233M1BTE
I-5-25
Component Name
Formula
Library Name
cis-2-HEPTENE
trans-2-HEPTENE
2-ETHYL-1-PENTENE
3-METHYL-1-HEXENE
2-METHYL-1-HEXENE
C7H14
C7H14
C7H14
C7H14
C7H14
HEPTENE2
T2HEP
2EP1
3M1H
2MH1
3-ETHYL-1-PENTENE
trans-3-HEPTENE
ETHYLCYCLOPENTANE
METHYLCYCLOHEXANE
4-METHYL-1-HEXENE
C7H14
C7H14
C7H14
C7H14
C7H14
3EP1
T3HP
ECP
MCH
4HX1
cis 1,3-DIMETHYLCYCLOPENTANE
2-METHYLHEXANAL
3-METHYLHEXANAL
DIPROPYL KETONE
ETHYL BUTYL KETONE
C7H14
C7H14O
C7H14O
C7H14O
C7H14O
1C3M
2MHEXAL
3MHEXAL
DPRK
EBK
1-HEPTANAL
5-METHYL-2-HEXANONE
2-HEPTANONE
C7H14O
C7H14O
C7H14O
C7H14O
C7H14O
HEPTANAL
IAMK
C4MCHXNL
T2MCHXNL
MPNK
PROPYL ISOPROPYL KETONE
1-METHYLCYCLOHEXANOL
CYCLOHEPTANOL
C7H14O
C7H14O
C7H14O
C7H14O
C7H14O
T3MCHXNL
PRIPK
T4MCHXNL
1MCHXNOL
CYHPTNOL
DIISOPROPYL KETONE
ETHYL ISOVALERATE
HEXYL FORMATE
C7H14O
C7H14O
C7H14O
C7H14O2
C7H14O2
C2MCHXNL
DIPK
C3MCHXNL
EISVALRT
HXFORMAT
n-PROPYL n-BUTYRATE
ETHYL VALERATE
PROPYL ISOBUTYRATE
n-HEPTANOIC ACID
n-BUTYL PROPIONATE
C7H14O2
C7H14O2
C7H14O2
C7H14O2
C7H14O2
PRBUTRAT
EVALERAT
PIBUTRAT
HPTANOIC
BUPRNAT
I-5-26
ECYCPNTN
MCYHXN
4M1HEXEN
1C3MCP
M2HXK
C7ACID
Component Name
Formula
Library Name
ISOBUTYL PROPIONATE
n-PENTYL ACETATE
METHYL CAPROATE
ISOPENTYL ACETATE
NEOHEPTANOIC ACID
C7H14O2
C7H14O2
C7H14O2
C7H14O2
C7H14O2
IBUPRNAT
PNACTAT
MXHN
IPNACTAT
NEOC7HO
n-PROPYL ISOBUTYRATE
ETHYL-3-ETHOXYPROPIONATE
1-BROMOHEPTANE
N-METHYLCYCLOHEXYLAMINE
2,3-DIMETHYLPENTANE
C7H14O2
C7H14O3
C7H15Br
C7H15N
C7H16
PRIBU
E3EP
1BRHPT
MCYHAM
23MP
2-METHYLHEXANE
3-METHYLHEXANE
3-ETHYLPENTANE
n-HEPTANE
2,4-DIMETHYLPENTANE
C7H16
C7H16
C7H16
C7H16
C7H16
2MHX
3MHX
3EPN
HEPTANE
24MP
2MHXAN
3MHXAN
3EPENT
NC7
24DMP
3,3-DIMETHYLPENTANE
2,2,3-TRIMETHYLBUTANE
2,2-DIMETHYLPENTANE
2-HEPTANOL
1-HEPTANOL
C7H16
C7H16
C7H16
C7H16O
C7H16O
33MP
223B
22MP
2HPTANOL
HPTA
33DMP
223MB
22DMP
ISOHEPTANOL
ETHYL tert-PENTYL ETHER
ISOPROPYL BUTYL ETHER
ISOPROPYL ISOBUTYL ETHER
C7H16O
C7H16O
C7H16O
C7H16O
C7H16O2
IHPTANOL
ETPE
IPBE
IPIBE
PG1TBE

DIETHYLENE GLYCOL MONOPROPYL ETHER
n-HEPTYL MERCAPTAN
1-AMINOHEPTANE
C7H16O2
C7H16O3
C7H16O3
C7H16S
C7H17N
PG2TBE
DEGMPE
DPGME
HP1THIOL
HPAMINE
PERFLUOROOCTANE
ISOPHTHALOYL CHLORIDE
PHTHALIC ANHYDRIDE
ETHYNYLBENZENE
TEREPHTHALDEHYDE
C8F18
C8H4Cl2O2
C8H4O3
C8H6
C8H6O2
PFOCTANE
IPHOYCL
PTAN
PHACETYL
TEREPALD
MXHNON
MXHXANON MCAPROAT
E3EPAT
E3EXPRAT
23DMP
HEPT
HEPTANOL
HEPTALC
PHTHANHD
PTANHD
I-5-27
Component Name
Formula
Library Name
4-CARBOXYBENZALDEHYDE
TEREPHTHALIC ACID
PHTHALIC ACID
ISOPHTHALIC ACID
BENZOTHIOPHENE
C8H6O3
C8H6O4
C8H6O4
C8H6O4
C8H6S
TEREPAHO
TEPHTHLC
PHTHALIC
IPHTHLIC
BZTHIOPH
m-TOLUNITRILE
o-TOLUNITRILE
p-TOLUNITRILE
INDOLE
PHENYL ACETONITRILE
C8H7N
C8H7N
C8H7N
C8H7N
C8H7N
MTOLNTRL
OTOLNTRL
PTOLNTRL
INDOLE
PHACNTRL
STYRENE
p-TOLUALDEHYDE
ACETOPHENONE
4-HYDROXYSTYRENE
o-TOLUALDEHYDE
C8H8
C8H8O
C8H8O
C8H8O
C8H8O
STYR
PTOLALD
ACPH
4HSTYREN
OTOLUALD
BENZYL FORMATE
p-TOLUIC ACID
METHYL BENZOATE
C8H8O2
C8H8O2
C8H8O2
C8H8O2
C8H8O2
BNZYFORM
2HACPH
4HACPH
4MBA
MOBZ
o-TOLUIC ACID
METHYL SALICYLATE
VANILLIN
ACETANILIDE
ACETAMINOPHEN
C8H8O2
C8H8O3
C8H8O3
C8H9NO
C8H9NO2
2MBA
MSAT
VANILLIN
ACTANLD
TYLENOL
2-NITROETHYLBENZENE
m-XYLENE
o-XYLENE
p-XYLENE
ETHYLBENZENE
C8H9NO2
C8H10
C8H10
C8H10
C8H10
2NETHBZ
MXYL
OXYL
PXYL
EBZN
MXYLENE
OXYLENE
PXYLENE
EBENZENE
CAFFEINE
3,4-XYLENOL
3,5-XYLENOL
o-ETHYLPHENOL
p-ETHYLPHENOL
C8H10N4O2
C8H10O
C8H10O
C8H10O
C8H10O
CAFFEINE
34XC
35XC
OEPH
PEPH
34XYLNOL
35XYLNOL
OEPHENOL
PEPHENOL
I-5-28
BZPYROL
STYRENE
ACTPHNON
HO4MBA
MOBZAT
PTOLA
MBENZOAT
HO2MBA
MSLICLAT
OTOLA
34XYLNAC
35XYLNAC
Component Name
Formula
Library Name
PHENETOLE
m-ETHYLPHENOL
alpha-METHYLBENZYL ALCOHOL
p-TOLUALCOHOL
2,3-XYLENOL
C8H10O
C8H10O
C8H10O
C8H10O
C8H10O
EPHE
MEPH
1PHEA
PT0LUALC
23XC
PHENATOL
MEPHENOL
EPHETHER
23XYLNOL
23XYLNAC
2,4-XYLENOL
2,5-XYLENOL
2-PHENYLETHANOL
2,6-XYLENOL
ETHYLBENZENE HYDROPEROXIDE
C8H10O
C8H10O
C8H10O
C8H10O
C8H10O2
24XC
25XC
2PHEA
26XC
EBHYPROX
24XYLNOL
25XYLNOL
BZCRNOL
26XYLNOL
24XYLNAC
25XYLNAC
ETHYLENE GLYCOL DIACRYLATE

N-ETHYLANILINE
4-ETHYLANILINE
2,4,6-TRIMETHYLPYRIDINE
N,N-DIMETHYLANILINE
C8H10O4
C8H11N
C8H11N
C8H11N
C8H11N
EGDACRYL
EPHAM
4EANLN
246COL
NNAN
NNDMAN
NNDMANLN
o-ETHYLANILINE
2,6-DIMETHYLANILINE
o-PHENETIDINE
p-PHENETIDINE
VINYLCYCLOHEXENE
C8H11N
C8H11N
C8H11NO
C8H11NO
C8H12
OEANILIN
26DMANLN
OETHANLN
PPHNTDNE
VCHE
VCHXEN
1,5-CYCLOOCTADIENE
1,5-ETHYLCYCLOHEXADIENE
DIETHYL MALEATE
1,4-CYCLOHEXANEDICARBOXYLIC ACID
CYCLOOCTENE
C8H12
C8H12
C8H12O4
C8H12O4
C8H14
15COD
15ED
DEMALEAT
14CHDCAR
CYLOCTEN
1-OCTYNE
CYCLOOCTANONE
n-BUTYL METHACRYLATE
CYCLOHEXYL ACETATE
C8H14
C8H14
C8H14
C8H14O
C8H14O2
C8H14O2
25DM15HD
25DM24HD
1OCTYNE
CYOCTNON
BMACRLAT
CHACTATE
ISOBUTYL METHACRYLATE
BUTYRIC ANHYDRIDE
SUBERIC ACID
DIETHYL SUCCINATE
C8H14O2
C8H14O3
C8H14O4
C8H14O4
C8H16
IBMACRLA
BANHYD
SUBERIC
DESNAT
1T4H
26XYLNAC
15ECHXD
DESUCNAT
1T4MCH
I-5-29
Component Name
Formula
Library Name
1,1-DIMETHYLCYCLOHEXANE
C8H16
C8H16
C8H16
C8H16
C8H16
112C
113C
1C3H
11CH
CCCP
2,3-DIMETHYL-1-HEXENE
2-METHYL-1-HEPTENE
cis-2-OCTENE
cis-3-OCTENE
cis-4-OCTENE
C8H16
C8H16
C8H16
C8H16
C8H16
23DM1HX
2M1HP
C2OCTENE
C3OCTENE
C4OCTENE
ETHYLCYCLOHEXANE
ISOPROPYLCYCLOPENTANE
C8H16
C8H16
C8H16
C8H16
C8H16
ECH
1C4H
IPCP
244TM1P
244TM2P
ECYHXN
1C4MCH
IPRCYCPN
1-METHYL-1-ETHYLCYCLOPENTANE
C8H16
C8H16
C8H16
C8H16
C8H16
1M1E
1C2E
1C3E
1T2E
1T3E
1M1ECP
1C2ECP
1C3ECP
1T2ECP
1T3ECP
METHYLCYCLOHEPTANE
n-PROPYLCYCLOPENTANE
C8H16
C8H16
C8H16
C8H16
C8H16
MCHPTAN
1C2H
CMCP
CTCP
PRCP
1C2MCH
1C2C3
1C2T3
PRCYCPNT
2-ETHYL-1-HEXENE
CYCLOOCTANE
C8H16
C8H16
C8H16
C8H16
C8H16
TCCP
TC4C
2EH1
1T2H
COCT
1T2C3MCP
1T2C4MCP
2E1HEXEN
1T2MCH
CYOCTANE
trans-2-OCTENE
trans-3-OCTENE
trans-4-OCTENE
1-OCTENE
C8H16
C8H16
C8H16
C8H16
C8H16
OCT2
OCT3
OCT4
OCT1
1T3H
T2OCTENE
T3OCTENE
T4OCTENE
1OCTENE
1T3MCH
I-5-30
112MCP
113MCP
1C3MCH
11MCH
1C2C4
1C2C4MCP
1C2C3MCP
1C2T3MCP
Component Name
Formula
Library Name
CYCLOOCTANOL
1-OCTANAL
2-ETHYLHEXANAL
2-OCTANONE
C8H16
C8H16O
C8H16O
C8H16O
C8H16O
CT4C
CYOCTNOL
OCTANAL
2EHEXAL
MHXK
1C2T4
n-OCTANOIC ACID
n-BUTYL n-BUTYRATE
PENTYL PROPIONATE
2-ETHYL HEXANOIC ACID
HEPTYL FORMATE
C8H16O2
C8H16O2
C8H16O2
C8H16O2
C8H16O2
HOCT
BUBUTRAT
PNPRPNAT
2EHXNOIC
HPFORMT
CAPRYLIC
C8ACID
PROPYL VALERATE
ISOBUTYL BUTYRATE
n-HEXYL ACETATE
ISOBUTYL ISOBUTYRATE
DIETHYLENE GLYCOL ETHYL ETHER ACETATE
C8H16O2
C8H16O2
C8H16O2
C8H16O2
C8H16O4
PRVALRAT
IBBUTRAT
HXACTAT
IBIBTRAT
22EOXYAC
3,4-DIMETHYLHEXANE
C8H18
C8H18
C8H18
C8H18
C8H18
34HX
223P
224P
233P
234P
34DMHX
223MP
224MPN
233MPN
234MP
ISOOCTAN
2-METHYLHEPTANE
3-METHYLHEPTANE
4-METHYLHEPTANE
C8H18
C8H18
C8H18
C8H18
C8H18
2M3E
3M3E
2MHP
3MHP
4MHP
2M3EPN
3M3EPN
2MHEPT
3MHEPT
4MHEPT
3-ETHYLHEXANE
2,2-DIMETHYLHEXANE
2,3-DIMETHYLHEXANE
2,4-DIMETHYLHEXANE
n-OCTANE
C8H18
C8H18
C8H18
C8H18
C8H18
3EHX
22HX
23HX
24HX
OCTANE
3EHXAN
22DMHX
23DMHX
24DMHX
OCTN
2,5-DIMETHYLHEXANE
3,3-DIMETHYLHEXANE
2,2,3,3-TETRAMETHYLBUTANE
2-ETHYL-1-HEXANOL
DI-sec-BUTYL ETHER
C8H18
C8H18
C8H18
C8H18O
C8H18O
25HX
33HX
TEMB
EHXA
DIBE
25DMHX
33DMHX
2233MB
2EHEXNOL
DIBETHR
1C2T4MCP
MHXKETON
OCTANOIC
NC8
2EHXALC
EHA
I-5-31
Component Name
Formula
Library Name
DI-n-BUTYL ETHER
DI-tert-BUTYL ETHER
DI-sec-BUTYL ETHER
ETHYL-n-HEXYL ETHER
1-OCTANOL
C8H18O
C8H18O
C8H18O
C8H18O
C8H18O
DBE
DTBE
DSBE
EHXE
OCTA
DBETHR
DTBETHR
BETHER
OCTANOL
OCTLALC
C8OH
2-OCTANOL
ETHYLENE GLYCOL MONO-n-HEXYL ETHER
DI-t-BUTYL PEROXIDE
2,2,4-TRIMETHYL-1,3-PENTANEDIOL
DI-n-BUTYL SULFONE
C8H18O
C8H18O2
C8H18O2
C8H18O2
C8H18O2S
2OA
EGMHXE
DTBPEROX
TMPDGLYC
DBSULFON
2OCTANOL
2OCTLALC
2OCOH

DIETHYLENE GLYCOL DIETHYL ETHER
TRIETHYLENE GLYCOL DIMETHYL ETHER
DI-n-BUTYL SULFATE
TETRAETHYLENE GLYCOL
C8H18O3
C8H18O3
C8H18O4
C8H18O4S
C8H18O5
DEGMBE
DEGDEE
TEGDME
DBSULFAT
TETRA
tert-OCTYL MERCAPTAN
n-OCTYL MERCAPTAN
n-OCTYLAMINE
DIISOBUTYLAMINE
DI-n-BUTYLAMINE
C8H18S
C8H18S
C8H19N
C8H19N
C8H19N
TOCTSH
OC1THIOL
OCTAMINE
DIBAMINE
DBAM
TETRAETHYL LEAD
TETRAETHYL SILANE
TETRAETHYLENEPENTAMINE
OCTAMETHYL TRISILOXANE
OCTAMETHYLCYCLOTETRASILOXANE
C8H20Pb
C8H20Si
C8H23N5
C8H24O2Si3
C8H24O4Si4
TETEPB
TETESLAN
TEPA
OMSLOXAN
OMCTSLN
PERFLUORONONANE
TRIMELLITIC ANHYDRIDE
TOLUENE DIISOCYANATE
QUINOLINE
ISOQUINOLINE
C9F20
C9H4O5
C9H6N2O2
C9H7N
C9H7N
PFNONANE
TMLANHYD
T24D
QUINOLIN
IQUINOLN
8-HYDROXYQUINOLINE
INDENE
2-METHYLBENZOFURAN
CINNAMIC ACID
ACETYLSALICYLIC ACID
C9H7NO
C9H8
C9H8O
C9H8O2
C9H8O4
8HYOXQUN
INDE
2MBZFUR
CINNAMIC
ASPIRIN
I-5-32
DBAMIN
TEPAMN
TEEPNAMN
INDENE
Component Name
Formula
Library Name
p-METHYLSTYRENE
METHYLSTYRENE(TRANS,BETA)
INDANE
o-METHYLSTYRENE
m-METHYLSTYRENE
C9H10
C9H10
C9H10
C9H10
C9H10
PVTOL
TBMS
INDAN
OMSTYR
MMSTYR
alpha-METHYLSTYRENE
cis-1-PROPENYLBENZENE
ETHYL BENZOATE
BENZYL ACETATE
ACETOVANILLONE
C9H10
C9H10
C9H10O2
C9H10O2
C9H10O3
AMST
C1PRBENZ
EBOA
BZLACTAT
APOCYNIN
ETHYL VANILLIN
p-DIMETHYLAMINOBENZALDEHYDE
L-PHENYLALANINE
p-ETHYLTOLUENE
C9H10O3
C9H11NO
C9H11NO2
C9H12
C9H12
EVANILLN
PDMABZAL
LPHANILN
M4EZ
123Z
1M4EBNZN
123MBENZ
MESITYLENE
CUMENE
o-ETHYLTOLUENE
n-PROPYLBENZENE
C9H12
C9H12
C9H12
C9H12
C9H12
124Z
135Z
CUMN
M2EZ
PBZN
124MBENZ
135MBENZ
CUMENE
1M2EBNZN
PRBENZEN
m-ETHYLTOLUENE
VINYLNORBORNENE
1-PHENYL-1-PROPANOL
1-PHENYL-2-PROPANOL
BENZYL ETHYL ETHER
C9H12
C9H12
C9H12O
C9H12O
C9H12O
M3EZ
VINORBOR
1PH1PROH
1PH2PROH
BZLEETHR
1M3EBNZN
2,4,6-TRIMETHYL PHENOL
DIMETHYL PHENYL CARBINOL
CUMENE HYDROPEROXIDE
N,N-DIMETHYL-o-TOLUIDINE
N,N-DIMETHYL-p-TOLUIDINE
C9H12O
C9H12O
C9H12O2
C9H13N
C9H13N
246TMPH
2P2P
CHPO
NNDMOT
NNDMPT
246TMPHL
2P2PRA
CUHYPROX
ISOPHORONE
GLYCERYL TRIACETATE
AZELAIC ACID
BUTYLCYCLOPENTANE
ISOPROPYLCYCLOHEXANE
C9H14O
C9H14O6
C9H16O4
C9H18
C9H18
IPHR
123PTOLA
AZELAIC
BCYP
IPCH
IPHORONE
GLYTRIAC
ANCHOIC
BCYPNTAN
INDANE
AMSTYREN
EBZOAT
EBENZOAT
IPRBNZN
2PH2PALC
C7DIACID
I-5-33
Component Name
Formula
Library Name
1-trans-3,5-TRIMETHYLCYCLOHEXANE
1-NONENE
n-PROPYLCYCLOHEXANE
CYCLONONANE
DI-n-BUTYL KETONE
C9H18
C9H18
C9H18
C9H18
C9H18O
1T35TMCH
NON1
PCH
CNON
DBK
1NONENE
PRPCYC6
CYNONANE
1-NONANAL
DIISOBUTYL KETONE
METHYL-n-HEPTYL KETONE
n-NONANOIC ACID
PENTYL BUTYRATE
C9H18O
C9H18O
C9H18O
C9H18O2
C9H18O2
NONANAL
DIBK
MHPK
HNON
PNBUTRAT
DIBKETON
MHPKETON
C9ACID
n-BUTYL VALERATE
ISOBUTYL VALERATE
HEPTYL ACETATE
HEXYL PROPIONATE
n-OCTYL FORMATE
C9H18O2
C9H18O2
C9H18O2
C9H18O2
C9H18O2
BUVALRAT
IBVALRAT
HPACTAT
HXPRNT
OCFORMT
TRIACETONE ALCOHOL
ACETATE
TRIPROPYLENE GLYCOL
C9H18O3
C9H18O4
TACEALC
DPGMEACE
C9H20O4
C9H20
C9H20
TPG
225H
233H
3-METHYLOCTANE
4-METHYLOCTANE
C9H20
C9H20
C9H20
C9H20
C9H20
235H
244H
334H
3MO
4MO
235MHX
244MHX
334MHX
3MOCTN
4MOCTN
2,6-DIMETHYLHEPTANE
n-NONANE
3,3-DIETHYLPENTANE
3-ETHYLHEPTANE
C9H20
C9H20
C9H20
C9H20
C9H20
26HP
DMEP
NONANE
33EP
3EHP
26DMHP
24M3EP
NONA
33DEPN
3EHEPT
2,2-DIMETHYLHEPTANE
C9H20
C9H20
C9H20
C9H20
C9H20
DM3E
22HP
2233
2234
2244
22DM3EPN
22DMHP
2233MP
2234MP
2244MP
I-5-34
NONANOIC
225MHX
233MHX
NC9
Component Name
Formula
Library Name
2-METHYLOCTANE
1-NONANOL
2-NONANOL
C9H20
C9H20
C9H20
C9H20O
C9H20O
2334
2MO
224H
C9OH
2NONOL
2,6-DIMETHYL-4-HEPTANOL
n-NONYL MERCAPTAN
n-NONYLAMINE
TRIPROPYLAMINE
PERFLUORODECALIN
C9H20O
C9H20S
C9H21N
C9H21N
C10F18
26DM4HP
NONSH
C9AMINE
TRPAMINE
PFDCLN
PERFLUORODECANE
PYROMELLITIC ACID
1-BROMONAPHTHALENE
1-CHLORONAPHTHALENE
1-FLUORONAPHTHALENE
C10F22
C10H6O8
C10H7Br
C10H7Cl
C10H7F
PFLRDECN
PYROMELL
1BRNAPH
1CLNAPH
1FNAPH
NAPHTHALENE
6-METHYLQUINOLINE
8-METHYLQUINOLINE
2-NAPHTHYLAMINE
1-NAPHTHYLAMINE
C10H8
C10H9N
C10H9N
C10H9N
C10H9N
NPHT
6MQUINLN
8MQUINLN
2NAPAMIN
1NAPAMIN
4-METHYLQUINOLINE
QUINALDINE
2-METHYLINDENE
m-DIVINYLBENZENE
1-METHYLINDENE
C10H9N
C10H9N
C10H10
C10H10
C10H10
4MQUINLN
2MQUINLN
2MINDENE
MDVBNZN
1MINDENE
DIMETHYL ISOPHTHALATE
DIMETHYL TEREPHTHALATE
DIMETHYL PHTHALATE
ACETOACETANILIDE
1,2,3,4-TETRAHYDRONAPHTHALENE
C10H10O4
C10H10O4
C10H10O4
C10H11NO2
C10H12
DMIPHTH
DMTPH
DMPT
ACEACEAN
THNP
2-PHENYLBUTENE-1
DICYCLOPENTADIENE
cis-2-PHENYLBUTENE-2
trans-2-PHENYLBUTENE-2
ANETHOLE
C10H12
C10H12
C10H12
C10H12
C10H12O
2PB1
DCPD
C2PHBUT2
T2PHBUT2
ANETHOLE
2334MP
2MOCTN
224MHX
NONANOL
NONLALC
NALC
NAPHTHLN
DMPTAT
DMPHTHAT
1234HNAP
TETRALIN
DICYCPD
I-5-35
Component Name
Formula
Library Name
n-PROPYL BENZOATE
DIALLYL MALEATE
m-CYMENE
o-CYMENE
C10H12O2
C10H12O4
C10H14
C10H14
C10H14
PRBENZOA
DIALMAL
MCYM
1235TMBZ
OCYM
p-CYMENE
sec-BUTYLBENZENE
p-DIETHYLBENZENE
tert-BUTYLBENZENE
C10H14
C10H14
C10H14
C10H14
C10H14
PCYM
SBBZ
14EZ
TBBZ
1M2PRBZ
3-ETHYL-o-XYLENE
n-BUTYLBENZENE
C10H14
C10H14
C10H14
C10H14
C10H14
1234TMBZ
TMBZ
12DM3EBZ
1M3PRBZ
BBNZ
o-DIETHYLBENZENE
ISOBUTYLBENZENE
m-DIETHYLBENZENE
5-ETHYL-m-XYLENE
C10H14
C10H14
C10H14
C10H14
C10H14
1M4PRBZ
ODEBZ
IBBZ
13DEBZ
5EMXYL
4-ETHYL-o-XYLENE
2-ETHYL-m-XYLENE
2-ETHYL-p-XYLENE
4-ETHYL-m-XYLENE
THYMOL
C10H14
C10H14
C10H14
C10H14
C10H14O
4EOXYL
2EMXYL
2EPXYL
4EMXYL
THYMOL
p-tert-BUTYLPHENOL
p-tert-BUTYLCATECHOL
2-ACETOACETOXY ETHYL METHACRYLATE
N-BUTYLANILINE
N,N-DIETHYLANILINE
C10H14O
C10H14O2
C10H14O5
C10H15N
C10H15N
PTBUPH
PTBUCAT
2ACACEEM
BNLN
NNDEANLN
2,6-DIETHYLANILINE
ADAMANTANE
beta-PHELLANDRENE
alpha-TERPINENE
gamma-TERPINENE
C10H15N
C10H16
C10H16
C10H16
C10H16
26DEAN
ADAMANTA
BPHELDR
ATERP
GTERP
I-5-36
MCYMENE
OCYMENE
PCYMENE
SBBENZEN
14EBENZN
TBBENZEN
1245MBNZ
BBENZENE
12DEBZ
IBBENZEN
BANLN
BANILINE
Component Name
Formula
Library Name
D-LIMONENE
TERPINOLENE
alpha-PINENE
beta-PINENE
CAMPHENE
C10H16
C10H16
C10H16
C10H16
C10H16
DLIMENE
TERPOLIN
PINENE
BPINENE
CAMPHENE
alpha-PHELLANDRENE
ETHYLENEDIAMINETETRAACETIC ACID
CAMPHOR
DIPROPYL MALEATE
cis-DECAHYDRONAPHTHALENE
C10H16
C10H16N2O8
C10H16O
C10H16O4
C10H18
APHELDR
EDATAA
CAMPHOR
DPMALATE
CISD
trans-DECAHYDRONAPHTHALENE
SEBACIC ACID
CAPRYLONITRILE
MALATHION
sec-BUTYLCYCLOHEXANE
C10H18
C10H18O4
C10H19N
C10H19O6PS2
C10H20
TRND
SEBACIC
CPNR
MALTHION
SBCH
TDECALIN
C10DHOAC
CAPNTR
1-DECENE
tert-BUTYLCYCLOHEXANE
ISOBUTYLCYCLOHEXANE
n-BUTYLCYCLOHEXANE
CYCLODECANE
C10H20
C10H20
C10H20
C10H20
C10H20
DEC1
TBCH
IBCH
BCH
CYCDECAN
1DECENE
TBCYHXAN
IBCYHXAN
BCYHXAN
1-DECANAL
L-MENTHOL
ISOPENTYL ISOVALERATE
n-DECANOIC ACID
HEPTYL PROPIONATE
C10H20O
C10H20O
C10H20O2
C10H20O2
C10H20O2
DECANAL
MENTHOL
IPIVALRT
DECANOIC
HPPRNT
PENTYL VALERATE
ETHYL OCTANOATE
OCTYL ACETATE
HEXYL BUTYRATE
2-ETHYLHEXYL ACETATE
C10H20O2
C10H20O2
C10H20O2
C10H20O2
C10H20O2
PNVALRAT
EOCTNOAT
OCACTAT
HXBUTRAT
EHAC
p-MENTHANE HYDROPEROXIDE
n-NONYL FORMATE
ACETATE
4-METHYLNONANE
5-METHYLNONANE
C10H20O2
C10H20O2
C10H20O4
PMHYPROX
NOFORMT
DEGMBEAC
C10H22
C10H22
4MNON
5MNON
APINENE
CDECALIN
CAPNITRL
SBCYHXAN
C10ACID
EHOAC
2EHACTAT
I-5-37
Component Name
Formula
Library Name
2,2-DIMETHYLOCTANE
2,3-DIMETHYLOCTANE
2,4-DIMETHYLOCTANE
2,5-DIMETHYLOCTANE
2,6-DIMETHYLOCTANE
C10H22
C10H22
C10H22
C10H22
C10H22
22DMO
23DMOCT
24DMOCT
25DMOCT
26DMOCT
2,7-DIMETHYLOCTANE
3,3,5-TRIMETHYLHEPTANE
2,2,3,3-TETRAMETHYLHEXANE
n-DECANE
3-METHYLNONANE
C10H22
C10H22
C10H22
C10H22
C10H22
27DMOCT
TMHP
TEMH
DECA
3MN
2-METHYLNONANE
ISOPHORONEDIAMINE
DI-n-PENTYL ETHER
ISODECANOL
DI-ISOPENTYL ETHER
C10H22
C10H22N2
C10H22O
C10H22O
C10H22O
2MNON
IPDA
DPNE
IDECANOL
DIPNETHR
1-DECANOL
8-METHYL-1-NONANOL
ETHYLENE GLYCOL 2-ETHYLHEXYL ETHER
ETHYLENE GLYCOL DI-n-BUTYL ETHER
DIPROPYLENE GLYCOL t-BUTYL ETHER
C10H22O
C10H22O
C10H22O2
C10H22O2
C10H22O3
DALC
8M1C9OH
EG2EHE
EGDBE
DPGTBE
TRIPROPYLENEGLYCOL MONOMETHYL
ETHER
TETRAETHYLENE GLYCOL DIMETHYL ETHER
n-DECYL MERCAPTAN
DIISOPENTYL SULFIDE
n-DECYLAMINE
C10H22O4
C10H22O5
C10H22S
C10H22S
C10H23N
TPGME
TETGDME
C10SH
DIPNSULF
DECAM
C10AMINE
DIAMYLAMINE
DECAMETHYL TETRASILOXANE
DECAMETHYL CYCLOPENTASILOXANE
1-METHYLNAPHTHALENE
2-METHYLNAPHTHALENE
C10H23N
C10H30O3Si4
C10H30O5Si5
C11H10
C11H10
DAAM
DMTSN
DMCPSLN
1MNP
2MNP
1MNAPHTH
2MNAPHTH
p-ISOPROPENYLSTYRENE
n-BUTYL BENZOATE
n-PENTYLBENZENE
p-tert-AMYLPHENOL
2-ETHYLHEXYL ACRYLATE
C11H12
C11H14O2
C11H16
C11H16O
C11H20O2
PISOPRST
BOBZ
PNBZ
PTAMPHN
EHAA
I-5-38
335MHP
2233MHX
DECANE
3MNONANE
IPDAMN
DPNETHR
NC10
IPHRDAMN
DIPNE
DECANOL
DECLALC
BUOBZAT
PNBENZEN
BBENZOAT
EHOACA
2EHACRAT
Component Name
Formula
Library Name
HEXYLCYCLOPENTANE
1-UNDECENE
1-UNDECANAL
HEXYL VALERATE
OCTYL PROPIONATE
C11H22
C11H22
C11H22O
C11H22O2
C11H22O2
HXCP
UND1
C11ALD
HXVALRAT
OCPRPNT
HXCYPNT
1UNDECEN
UNDECANOIC ACID
ETHYL NONANOATE
n-DECYL FORMATE
METHYL DECANOATE
n-NONYL ACETATE
C11H22O2
C11H22O2
C11H22O2
C11H22O2
C11H22O2
C11ACID
ENONNOAT
DECFORMT
MDECOATE
NONACTAT
UNDCNOIC
n-UNDECANE
1-UNDECANOL
HEPTYL BUTYRATE
UNDECYL MERCAPTAN
UNDECYLAMINE
C11H24
C11H24O
C11H24O2
C11H24S
C11H25N
UNDC
UNDECNOL
HPBUTRAT
C11SH
C11AMINE
UNDECANE
1,5-NAPHTHALENE DIISOCYANATE
ACENAPHTHALENE
DIBENZOFURAN
DIBENZOTHIOPHENE
DIBENZOPYRROLE
C12H6N2O2
C12H8
C12H8O
C12H8S
C12H9N
15NPDICY
ACENAPHT
DBZFURAN
DIBZTHIO
CARBAZOL
4,4-DINITRODIPHENYLAMINE
ACENAPHTHENE
BIPHENYL
AZOBENZENE
o-NITRODIPHENYLAMINE
C12H9N3O4
C12H10
C12H10
C12H10N2
C12H10N2O2
44DNPHAM
ACENAP
BIPH
AZOBNZ
ONDPAM
p-NITRODIPHENYLAMINE
DIPHENYL ETHER
DIPHENYLAMINE
p-AMINODIPHENYL
1,3-DIPHENYLTRIAZENE
C12H10N2O2
C12H10O
C12H11N
C12H11N
C12H11N3
PNDPAM
DPHE
DPHAMINE
PAMDP
13DPTZN
p-AMINOAZOBENZENE
2-ETHYLNAPHTHALENE
1-ETHYLNAPHTHALENE
C12H11N3
C12H12
C12H12
C12H12
C12H12
PABZ
26DMNP
27DMNP
2ENP
1ENP
NC11
DBNZPYR
BIPHENYL
DPHETHER
2ENAPHTH
1ENAPHTH
I-5-39
Component Name
Formula
Library Name
p-AMINODIPHENYLAMINE
BENZIDINE
HYDRAZOBENZENE
1,2,3-TRIMETHYLINDENE
DIETHYL PHTHALATE
C12H12N2
C12H12N2
C12H12N2
C12H14
C12H14O4
PAMDPHEN
BENZIDIN
HYAZBZ
123TMIND
DEPT
BIS-(2-HYDROXYETHYL) TEREPHTHALATE
CYCLOHEXYLBENZENE
p-tert-BUTYLSTYRENE
4-ISOBUTYLSTYRENE
p-tert-BUTYL ETHYLBENZENE
C12H14O6
C12H16
C12H16
C12H16
C12H18
BHET
CHXBNZ
4TBUTSTY
4IBUTSTY
PTBUTEBZ
m-DIISOPROPYLBENZENE
p-DIISOPROPYLBENZENE
n-HEXYLBENZENE
m-DIISOPROPYL BENZENE HYDROPEROXIDE
P-DIISOPROPYLBENZENE HYDROPEROXIDE
C12H18
C12H18
C12H18
C12H18O2
C12H18O2
MDIPBN
PDIPBN
HXBNZN
MDIBZPOX
PDIBZPOX
2-CYCLOHEXYL CYCLOHEXANONE
DIBUTYL MALEATE
1,1-PEROXYDICYCLOHEXYLAMINE
11-CYANOUNDECANOIC ACID
BICYCLOHEXYL
C12H20O
C12H20O4
C12H21NO2
C12H21NO2
C12H22
2CYHCYHO
DBUTMAL
PDCA
CUDA
BICHXL
11PDCA
11CNUDAC
BICYHXL
SUCROSE
DICYCLOHEXYLAMINE
HEPTYLCYCLOPENTANE
1-DODECENE
1-DODECANAL
C12H22O11
C12H23N
C12H24
C12H24
C12H24O
SUCROSE
DCHAM
HPCP
DDC1
C12ALD
HPCYPT
1DODECEN
DODECAL
n-DODECANOIC ACID
HEPTYL VALERATE
DECYL ACETATE
12-AMINODODECANOIC ACID
n-DODECANE
C12H24O2
C12H24O2
C12H24O2
C12H25NO2
C12H26
DDAC
HPVALRAT
DECACTAT
ADAC
DDEC
LAURIC
HDDAC
12AMDDAC
DODECANE
12AM12AC
NC12
2,2,4,6,6-PENTAMETHYLHEPTANE
DI-n-HEXYL ETHER
1-DODECANOL
OCTYL BUTYRATE
DIETHYLENE GLYCOL DI-n-BUTYL ETHER
C12H26
C12H26O
C12H26O
C12H26O2
C12H26O3
PMHP
DHXE
DODA
OCBUTRAT
DEGDBE
22466MHP
HXETHER
DODECNOL
HXE
DODECALC
I-5-40
DEPHTHAT
11PXDCHA
11CN11AC
HODDAC
Component Name
Formula
Library Name
n-DODECYL MERCAPTAN
tert-DODECYL MERCAPTAN
TRI-n-BUTYL BORATE
DODECYLAMINE
TRI-n-BUTYLAMINE
C12H26S
C12H26S
C12H27BO3
C12H27N
C12H27N
C12SH
TC12SH
TBBORATE
C12AMINE
TBAM
DODECAMETHYL PENTASILOXANE
DODECAMETHYLCYCLOHEXASILOXANE
ACRIDINE
2,6-DIETHYLNAPHTHALENE
FLUORENE
BENZOPHENONE
C12H36O4Si5
C12H36O6Si6
C13H9N
C14H16
C13H10
C13H10O
DDMPSN
DDMCHSLN
ACRIDINE
26DENP
FLUORENE
BNZPHENO
DIPHENYLMETHANE
N-METHYL DIPHENYLAMINE
2-PROPYLNAPHTHALENE
1-PROPYLNAPHTHALENE
IBUPROFEN
C13H12
C13H13N
C13H14
C13H14
C13H18O2
DPHM
NMDPHAMN
2PNP
1PNP
IBUPROFN
n-HEPTYLBENZENE
OCTYLCYCLOPENTANE
1-TRIDECENE
1-TRIDECANAL
OCTYL VALERATE
C13H20
C13H26
C13H26
C13H26O
C13H26O2
C7BZ
OCP
TDC1
C13ALD
OCVALRAT
n-TRIDECANOIC ACID
n-BUTYL NONANOATE
METHYL DODECANOATE
n-TRIDECANE
1-TRIDECANOL
C13H26O2
C13H26O2
C13H26O2
C13H28
C13H28O
C13ACID
NBNONATE
MLAURATE
TRDC
1TRDECNL
ANTHRAQUINONE
ANTHRACENE
DIPHENYLACETYLENE
PHENANTHRENE
BENZOYL PEROXIDE
C14H8O2
C14H10
C14H10
C14H10
C14H10O4
ANTQUIN
ANTH
DPHACET
PHAN
BZPOX
trans-STILBENE
cis-STILBENE
BENZYL BENZOATE
1,1-DIPHENYLETHANE
1,2-DIPHENYLETHANE
C14H12
C14H12
C14H12O2
C14H14
C14H14
TSTILBEN
CSTILBEN
BNZBZOAT
DPHENET
12DPHNLE
C12THIOL
LAURAM
TRBAMIN
TRBAMINE
DPHMETHN
2PRNAPHT
1PRNAPHT
OCCYPNTN
1TRDECEN
TRDCNOIC
TRIDECAN
NC13
ANTHRCEN
TOLANE
PHNANTHR
I-5-41
Component Name
Formula
Library Name
DIBENZYL ETHER
DIBENZYLAMINE
1-n-BUTYLNAPHTHALENE
2-BUTYLNAPHTHALENE
DIPROPYL PHTHALATE
C14H14O
C14H15N
C14H16
C14H16
C14H18O4
DBZLETHR
DBZAMIN
1BNP
2BNP
DPPHTH
DIAMANTANE
n-OCTYLBENZENE
p-tert-OCTYLPHENOL
1-TETRADECENE
NONYLCYCLOPENTANE
C14H20
C14H22
C14H22O
C14H28
C14H28
DIAMTANE
DIPPHTH
PTOPHN
TED1
NOCP
n-TETRADECANOIC ACID
n-TETRADECANE
1-TETRADECANOL
TETRADECYLAMINE
TETRADECAMETHYL HEXASILOXANE
C14H28O2
C14H30
C14H30O
C14H31N
C14H42O5Si6
MYRISTIC
TDCN
TETDCNOL
C14AMINE
TDMHSLN
DIPHENYLMETHANE-4,4-DIISOCYANATE
1-PHENYLINDENE
4-ISOPROPYL DIPHENYL
p-CUMYLPHENOL
BISPHENOL A
C15H10N2O2
C15H12
C15H16
C15H16O
C15H16O2
DPM44DCN
1PLIND
4IPDPH
PCPH
BSPHNOLA
1-n-PENTYLNAPHTHALENE
n-NONYLBENZENE
2,6-DI-tert-BUTYL-p-CRESOL
NONYLPHENOL
1-PENTADECENE
C15H18
C15H24
C15H24O
C15H24O
C15H30
1PNAP
C9BZ
BHT
C9PHNOL
PDC1
DECYLCYCLOPENTANE
PENTADECANOIC ACID
n-PENTADECANE
1-PENTADECANOL
TRIAMYLAMINE
C15H30
C15H30O2
C15H32
C15H32O
C15H33N
DCCP
C15ACID
PNDC
PNTDECNL
TAAM
FLUORANTHENE
PYRENE
1-PHENYLNAPHTHALENE
1-n-HEXYLNAPHTHALENE
2-HEXYLNAPHTHALENE
C16H10
C16H10
C16H12
C16H20
C16H20
FLUANTHE
PYRENE
1PHNAP
1HNP
2HNP
I-5-42
1BNAPHTH
2BNAPHTH
1TEDECEN
NOCYPNTN
C14ACID
TETDECAN
NC14
PCPHENOL
PCUPHNOL
STAVOX
1PNDECEN
DCCYPNTN
PNDCNIOC
PENDECAN
NC15
1HXNAPHT
2HXNAPHT
Component Name
Formula
Library Name
DIISOBUTYL PHTHALATE
DIBUTYL PHTHALATE
1-n-HEXYL-1,2,3,4TETRAHYDRONAPHTHALENE
n-DECYLBENZENE
n-DECYLCYCLOHEXANE
C16H22O4
C16H22O4
C16H24
C16H26
C16H32
DIBPHTAT
DBPT
NC6THNP
C10BNZN
C10CYH
1-HEXADECENE
n-HEXADECANOIC ACID
n-HEXADECANE
1-HEXADECANOL
DI-n-OCTYL ETHER
C16H32
C16H32O2
C16H34
C16H34O
C16H34O
HDC1
C16ACID
HXDC
HXDECNOL
DOCTE
HEXADECAMETHYL HEPTASILOXANE
n-UNDECYLBENZENE
DODECYLCYCLOPENTANE
1-HEPTADECENE
n-HEPTADECANOIC ACID
C16H48O6Si7
C17H28
C17H34
C17H34
C17H34O2
HDMHSLN
C11BZ
DDCP
HPD1
C17ACID
ISOPROPYL MYRISTATE
n-HEPTADECANE
1-HEPTADECANOL
CHRYSENE
4,4-DINITROTRIPHENYLAMINE
C17H34O2
C17H36
C17H36O
C18H12
C18H13N3O4
ISOPMYRI
HPDC
HPDA
CHRYSENE
44DNTPAM
p-TERPHENYL
m-TERPHENYL
o-TERPHENYL
TRIPHENYLPHOSPHINE OXIDE
TRIPHENYL PHOSPHATE
C18H14
C18H14
C18H14
C18H15OP
C18H15O4P
PTPH
MTPH
OTPH
TPHPHOX
TPHPHOS
TRIPHENYLPHOSPHINE
N,N-DIPHENYL-p-PHENYLENEDIAMINE
2,4-DIPHENYL-4-METHYLPENTENE-1
2,3-DIMETHYL-2,3-DIPHENYLBUTANE
DICUMYL PEROXIDE
C18H15P
C18H16N2
C18H20
C18H22
C18H22O2
TPHPHSPN
NNDPPDA
24DPH4MP
DM23DPB
DCPEROX
n-DODECYLBENZENE
LINOLENIC ACID
LINOLEIC ACID
OLEIC ACID
DIBUTYL SEBACATE
C18H30
C18H30O2
C18H32O2
C18H34O2
C18H34O4
DDBZ
LINOLENI
LINOLEIC
OLEIC
DC4SEBCA
DBPHTHAT
1HXDECEN
PALMITIC
HXDECANE
NC16
DDCYPNTN
MARGARIC
HDECANE
HPDECNOL
NC17
HPDECALC
PTERPHNL
MTERPHNL
OTERPHNL
DODBNZ
OLEHOAC
I-5-43
Component Name
Formula
Library Name
DIHEXYL ADIPATE
TRIDECYLCYCLOPENTANE
1-OCTADECENE
STEARIC ACID
n-OCTADECANE
C18H34O4
C18H36
C18H36
C18H36O2
C18H38
DHEXADP
TRCP
OCD1
STEARIC
OCDC
DINONYL ETHER
1-OCTADECANOL
OCTADECAMETHYL OCTASILOXANE
TRIPHENYLMETHANE
2-NONYLNAPHTHALENE
C18H38O
C18H38O
C18H54O7Si8
C19H16
C19H26
DNONETH
1ODA
ODMOSLN
TRIPHM
2NNP
1-n-NONYLNAPHTHALENE
n-TRIDECYLBENZENE
METHYL OLEATE
1-NONADECENE
TETRADECYLCYCLOPENTANE
C19H26
C19H32
C19H36O2
C19H38
C19H38
1NNP
C13BNZN
MOLEATE
NONDE1
TDCP
NONADECANOIC ACID
n-NONADECANE
1-NONADECANOL
TRIPHENYLETHYLENE
1,1,2-TRIPHENYLETHANE
C19H38O2
C19H40
C19H40O
C20H16
C20H18
C19ACID
NODC
NONDECNL
TRIPHET
TPHET
1-n-DECYLNAPHTHALENE
ABIETIC ACID
DEHYDROABIETYLAMINE
n-TETRADECYLBENZENE
DIOCTYLSODIUM SULFOSUCCINATE
C20H28
C20H30O2
C20H31N
C20H34
C20H37NaO7S
C10NAPH
ABIETIC
DHABIEAM
C14BENZ
DONASSUC
CETYL METHACRYLATE
PENTADECYLCYCLOPENTANE
1-EICOSENE
n-EICOSANIC ACID
n-EICOSANE
C20H38O2
C20H40
C20H40
C20H40O2
C20H42
CETMACRY
PDCP
1EICOSE
C20ACID
EICS
1-EICOSANOL
DIISODECYL PHTHALATE
TRI-o-CRESYL PHOSPHATE
n-PENTADECYLBENZENE
HEXADECYLCYCLOPENTANE
C20H42O
C20H46O4
C21H21O4P
C21H36
C21H42
1EIC
DISC10PT
TCRSPHS
C15BENZ
HDCP
I-5-44
TDCYPNTN
1OCDECEN
C18ACID
OCTDECAN
NC18
1OCDCNOL
1OCDCALC
2NONAPHT
1NNAPHTH
TEDCYPNT
NONDECAN
NC19
PNDCYPNT
EICOSANE
NC20
1EICNOL
1EICLALC
HXDCYPNT
Component Name
Formula
Library Name
HENEICOSANE
DIHEPTYL PHTHALATE
n-HEXADECYLBENZENE
DI(2-ETHYLHEXYL)ADIPATE
BEHENIC ACID
C21H44
C22H34O4
C22H38
C22H42O4
C22H44O2
NC21
DHP
C16BENZ
OCTADIPT
BEHENIC
n-BUTYL STEARATE
DOCOSANE
n-HEPTADECYLBENZENE
TRICOSANE
DIISOOCTYL PHTHALATE
C22H44O2
C22H46
C23H40
C23H48
C24H38O4
BUSTRAT
NC22
C17BENZ
NC23
DIOP
DIOCTYL PHTHALATE
DIOCTYL PHTHALATE
DIOCTYL TEREPHTHALATE
n-OCTADECYLBENZENE
DINONYLPHENOL
C24H38O4
C24H38O4
C24H38O4
C24H42
C24H42O
D2EHPHAT
DOP
DOTERP
C18BENZ
DC9PHEN
TETRACOSANE
TETRAPHENYLMETHANE
n-PENTACOSANE
TETRAPHENYLETHYLENE
1,1,2,2-TETRAPHENYLETHANE
C24H50
C25H20
C25H52
C26H20
C26H22
NC24
TETPHM
NC25
TETPNETE
TETPHET
DI-n-NONYL PHTHALATE
n-HEXACOSANE
CHOLESTEROL
n-HEPTACOSANE
DIDECYL PHTHALATE
C26H42O4
C26H54
C27H46O
C27H56
C28H46O4
DNP
NC26
CHOLESRL
NC27
DDPT
n-OCTACOSANE
n-NONACOSANE
SQUALANE
n-TRIACONTANE
n-DOTRIACONTANE
C28H58
C29H60
C30H62
C30H62
C32H66
NC28
NC29
SQUALANE
NC30
NC32
n-HEXATRIACONTANE
CALCIUM
CALCIUM CHLORIDE
CALCIUM HYPOCHLORITE
CALCIUM FLUORIDE
C36H74
Ca
CaCl2
CaCl2O2
CaF2
NC36
CALCIUM
CACL2
CAHYPCLD
CAF2
HENEICOS
C22ACID
DOCOSAN
TRICOSAN
DIOPHTAT
DOPHTH
TETCOSAN
DDPHTHAT
I-5-45
Component Name
Formula
Library Name
CALCIUM HYDROXIDE
CALCIUM OXIDE
CALCIUM SULFATE
CUPROUS CHLORIDE
PERCHLORYL FLUORIDE
CaH2O2
CaO
CaO4S
ClCu
ClFO3
CAHYDROX
CAO
CASO4
CUCL
PERCLFL
HYPOCHLOROUS ACID
CHLOROSULFONIC ACID
PERCHLORIC ACID
AMMONIUM CHLORIDE
HYDROXYLAMINE HYDROCHLORIDE
ClHO
ClHO3S
ClHO4
ClH4N
ClH4NO
HCLO
HCLSO3
HCLO4
NH4CL
HYDAMHCL
AMMONIUM PERCHLORATE
POTASSIUM CHLORIDE
POTASSIUM CHLORATE
NITROSYL CHLORIDE
SODIUM CHLORIDE
ClH4NO4
ClK
ClKO3
ClNO
ClNa
NH4CLO4
KCL
KCLO3
NOCL
NACL
SODIUM HYPOCHLORITE
SODIUM CHLORATE
CHLORINE DIOXIDE
CHLORINE
CUPRIC CHLORIDE
ClNaO
ClNaO3
ClO2
Cl2
Cl2Cu
NACLO
NACLO3
CLO2
CL2
CUCL2
DICHLOROSILANE
THIONYL CHLORIDE
SULFURYL CHLORIDE
SULFUR DICHLORIDE
GALLIUM TRICHLORIDE
Cl2H2Si
Cl2OS
Cl2O2S
Cl2S
Cl3Ga
DCLSILA
THIOCL
SULNYCL
SULFDICL
GACL3
TRICHLOROSILANE
NITROGEN TRICHLORIDE
PHOSPHORUS OXYCHLORIDE
VANADIUM OXYTRICHLORIDE
PHOSPHORUS TRICHLORIDE
Cl3HSi
Cl3N
Cl3OP
Cl3OV
Cl3P
TRCLSIL
NCL3
POCL3
VOCL3
PHOSTRCL
PHOSPHORUS THIOCHLORIDE
TITANIUM TRICHLORIDE
SILICON TETRACHLORIDE
STANNIC CHLORIDE
Cl3PS
Cl3Sb
Cl3Ti
Cl4Si
Cl4Sn
PSCL3
ANTRICL
TICL3
SITC
SNCL4
I-5-46
NITRSLCL
CHLORINE
SICL4
SITETRCL
Component Name
Formula
Library Name
TITANIUM TETRACHLORIDE
VANADIUM TETRACHLORIDE
PHOSPHORUS PENTACHLORIDE
CHROMIUM TRIOXIDE
SODIUM DICHROMATE
Cl4Ti
Cl4V
Cl5P
CrO3
Cr2Na2O7
TICL4
VCL4
PCL5
CRO3
NADCRMAT
CESIUM
CUPRIC SULFATE
DEUTERIUM
DEUTERIUM OXIDE
FLUOSULFONIC ACID
Cs
CuO4S
D2
D2O
FHO3S
CESIUM
CUSO4
D2
D2O
HFSO3
SODIUM FLUORIDE
FLUORINE
OXYGEN FLUORIDE
NITROGEN TRIFLUORIDE
TETRAFLUOROHYDRAZINE
FNa
F2
F2O
F3N
F4N2
NAF
F2
OF2
NF3
TETFHYD
SILICON TETRAFLUORIDE
NIOBIUM PENTAFLUORIDE
SULFUR HEXAFLUORIDE
URANIUM HEXAFLUORIDE
IRON
F4Si
F5Nb
F6S
F6U
Fe
SIF4
NBF5
SF6
UF6
IRON
FERROUS OXIDE
FERROUS SULFATE
FERRIC OXIDE
GERMANIUM
GERMANIUM TETRAHYDRIDE
FeO
FeO4S
Fe2O3
Ge
GeH4
FEO
FESO4
FE2O3
GERMANM
GEH4
HYDROGEN BROMIDE
HYDROGEN CHLORIDE
HYDROGEN DEUTERIDE
HYDROGEN FLUORIDE
HYDROGEN IODIDE
HBr
HCl
HD
HF
HI
HBR
HCL
HD
HF
HI
POTASSIUM HYDROXIDE
DIPOTASSIUM PHOSPHATE
NITROUS ACID
NITRIC ACID
NITROSYLSULFURIC ACID
HKO
HK2O4P
HNO2
HNO3
HNO5S
KOH
DPOPHOS
HNO2
HNO3
NSYLS
CAESIUM
DEUTRIUM
DTRIUMOX
FLUORINE
NITRIF
NIOPNF
SULFHXF
FE
HYBROMID
HYCHLORD
HYFLUORD
HYIODIDE
NITRIC
I-5-47
Component Name
Formula
Library Name
SODIUM HYDROXIDE
SODIUM BISULFITE
SODIUM BISULFATE
DISODIUM PHOSPHATE
HYDROGEN
HNaO
HNaO3S
HNaO4S
HNa2O4P
H2
NAOH
NAHSO3
NAHSO4
DNAPHOS
H2
HYDROGEN
HYDROGEN(PARA)
SODIUM AMIDE
MONOSODIUM PHOSPHATE
WATER
HYDROGEN PEROXIDE
H2
H2NNa
H2NaO4P
H2O
H2O2
H2PARA
NANH2
NAH2PO4
H2O
H2O2
WATER
HYPEROXD
SULFURIC ACID
HYDROGEN SULFIDE
HYDROGEN SELENIDE
AMMONIA
HYDROXYLAMINE
H2O4S
H2S
H2Se
H3N
H3NO
H2SO4
H2S
SELANE
NH3
HYDROAM
SULFAMIC ACID
HYPOPHOSPHOROUS ACID
PHOSPHOROUS ACID
PHOSPHORIC ACID
PHOSPHINE
H3NO3S
H3O2P
H3O3P
H3O4P
H3P
SULFAMAC
H3PO2
H3PO3
H3PO4
PHOSPHIN
HYDRAZINE
AMMONIUM NITRATE
SILANE
AMMONIUM HYDROXIDE
AMMONIUM BISULFITE
H4N2
H4N2O3
H4Si
H5NO
H5NO3S
N2H4
NH4N2O3
SILANE
NH5O
NH5SO3
AMMONIUM BISULFATE
AMMONIUM PHOSPHATE
DISILANE
AMMONIUM SULFITE
AMMONIUM SULFATE
H5NO4S
H6NO4P
H6Si2
H8N2O3S
H8N2O4S
NH5SO4
NH6PO4
DISILANE
AMSULFIT
AMSULFAT
DIAMMONIUM PHOSPHATE
HELIUM-4
HELIUM-3
MERCURY
IODINE
H9N2O4P
He
He
Hg
I2
DAMPHOS
HE
HELIUM3
MERCURY
I2
I-5-48
H20
SULFURIC
HYSULFID
AMMONIA
HYDRAZIN
HE4
HELIUM
HELIUM4
IODINE
Component Name
Formula
Library Name
POTASSIUM IODIDE
SODIUM IODIDE
POTASSIUM
KRYPTON
LITHIUM
IK
INa
K
Kr
Li
KI
NaI
K
KR
LITHIUM
ALPHANOL
THERMINOL 44
THERMINOL VP-1
AIR
THERMINOL 59
THERMINOL 60
MIXTURE
MIXTURE
MIXTURE
MIXTURE
MIXTURE
MIXTURE
ALPH
T44
VP1
AIR
T59
T60
ALPHANOL
THRMNL44
THRMVP-1
THERMINOL 66
THERMINOL 75
DOWTHERM G
DOWTHERM HT
DOWTHERM J
MIXTURE
MIXTURE
MIXTURE
MIXTURE
MIXTURE
T66
T75
DTG
DTHT
DTJ
THRMNL66
THRMNL75
DOWG
DOWHT
DOWJ
DOWTHERM LF
THERMINOL 55
DOWTHERM A
MAGNESIUM NITRATE
MAGNESIUM OXIDE
MIXTURE
MIXTURE
MIXTURE
MgN2O6
MgO
DTLF
T55
DTA
MGNITR
MGO
DOWLF
THRMNL55
DOWA
MAGNESIUM SULFATE
SODIUM NITRITE
SODIUM NITRATE
NITRIC OXIDE
NITROGEN DIOXIDE
MgO4S
NNaO2
NNaO3
NO
NO2
MGSO4
NANO2
NANO3
NO
NO2
NITROGEN
NITROUS OXIDE
NITROGEN TRIOXIDE
NITROGEN TETROXIDE
NITROGEN PENTOXIDE
N2
N2O
N2O3
N2O4
N2O5
N2
N2O
NITTO
DNTETOX
NITPO
NITROGEN
NITRSOXD
SODIUM
SODIUM PEROXIDE
SODIUM THIOSULFATE
SODIUM SILICATE
SODIUM SULFATE
Na
Na2O2
Na2O3S2
Na2O3Si
Na2O4S
NA
NA2O2
NA2S2O3
NASILICA
NA2SO4
SODIUM
KRYPTON
THRMNL59
THRMNL60
DOWTHRM
G
DOWTHHT
DOWTHRM
J
DOWTHLF
DOWTHRM
A
NITROXID
NITRDIOX
I-5-49
Component Name
Formula
Library Name
SODIUM HYDROSULFITE
SODIUM SULFIDE
TRISODIUM PHOSPHATE
TETRASODIUM PYROPHOSPHATE
SODIUM TRIPOLYPHOSPHATE
Na2O4S2
Na2S
Na3O4P
Na4O7P2
Na5O10P3
NA2S2O4
NA2S
TNAPHOS
TTNAPHOS
NATPPHOS
SODIUM HEXAMETAPHOSPHATE
NEON
OXYGEN
SULFUR DIOXIDE
SILICON DIOXIDE
Na6O18P6
Ne
O2
O2S
O2Si
NAHMPHOS
NEON
O2
SO2
SIO2
TITANIUM DIOXIDE
ZINC OXIDE
OZONE
SULFUR TRIOXIDE
ZINC SULFATE
O2Ti
OZn
O3
O3S
O4SZn
TIO2
ZNO
O3
SO3
ZNSO4
PHOSPHORUS PENTOXIDE
PHOSPHORUS
PHOSPHORUS PENTASULFIDE
RUBIDIUM
SULFUR
O10P4
P
P4S10
Rb
S
PPO
PHOSPHRS
PPS
RB
SULFUR
SILICON
VANADIUM
XENON
ZINC
SbCl3
Si
V
Xe
Zn
SBCL3
SILICON
VANADIUM
XE
ZINC
I-5-50
NE
OXYGEN
SULFDIOX
OZONE
SULFTROX
RUBIDIUM
XENON
Chapter 6
General Information
Petroleum components may be defined on the PETROLEUM
statement (Chapter 2), or derived from assay stream data (Chapter
32 of the PRO/II Keyword Manual). They are characterized by the
program to generate pseudocomponent properties according to the
methods described in this chapter. Although the default
characterization methods are suitable for most petroleum
applications, the user has the flexibility to choose other methods, if
desired.
Input Description
Petroleum Component Characterizations (optional)
CUTPOINTS TBPCUTS(unit)= t0, t1, ncuts {/t2, ncuts/...},
{CUTSET=SIMSCI}, {BLEND=name}, {DEFAULT}
CUTPOINTS TBPCUTS(F)=100,800,28/1200,8/1600,4 (default)
or equivalent in SI and Metric units
This statement is optional and is used to define TBP cut points for
petroleum components derived by the program from input stream
ASTM/TBP data. The temperature dimension defaults to problem
units.
TBPCUTS
Defines the TBP cut points for petroleum components.

t0, t1
Beginning and ending temperatures

for the first group of cut points.
I-6-1
CUTSET
tn
The ending temperature for the current

group of cut points. The beginning
temperature will be tn-1.
ncuts
An integer value representing the

number of cuts in each group. The
default is 1. The maximum value is
unlimited.
This keyword selects the default set of cutpoints.

SIMSCI
BLEND
This keyword designates a blend name. If a

CUTPOINTS statement without the BLEND keyword is
given, it becomes the default cutpoint range. All blends
not defined with CUTPOINTS statements will use this
statement instead. This is exactly equivalent to
providing a TBPCUTS statement in versions of PRO/II
prior to v3.3. See Chapter 32 of the PRO/II Keyword
Manual for more information.
NAME
DEFAULT
The default SIMSCI cutpoint set.
A blend name. It should contain a

maximum of 12 characters, and
should not contain any embedded
blanks. Each PROPERTY statement in
the Stream Data Category of input with
a BLEND or XBLEND entry of name
will use the cut points generated by
the CUTPOINTS statement with
BLEND = name.
This keyword designates the default blend. Any assay

stream without a blend name will be assigned to the
default blend.
Note: It is not necessary to have a CUTPOINTS statement for
every blend. If the CUTPOINTS statement is not present, the

standard default cut points will be used. The PROPERTY
statement causes the components to be loaded into the blend. The
CUTPOINTS statement BLEND name designation does not cause
the components to be loaded up into the blend.
The user should try to define the temperatures such that they
encompass the TBP ranges for all stream assay data. If not, the
portions outside the defined temperature ranges will be included
with the first and last components. For details of entering the stream
assay data, see Chapter 32 of the PRO/II Keyword Manual.
I-6-2
ASSAY
FIT= SPLINE or QUADRATIC or PDF(NONE, IP, EP, BOTH),

CHARACTERIZE= SIMSCI or CAVETT or LK, MW= SIMSCI
or EXTAPI or CAVETT, CONVERSION= API87 or API63 or
EDOK,
GRAVITY= WATSONK or PRE301,
{TBPIP= 1, TBPEP= 98}, {NBP=LV or MID}
This statement is optional and is used to select various calculational

methods pertaining to petroleum characterization.
FIT
CHARACTERIZE
Select the curve fitting procedure for user supplied

assay data. From these curves, the amounts of
pseudocomponents boiling in the cut ranges specified
by the TBPCUTS statement can be determined by
integration. The methods are explained below:
SPLINE
Cubic spline fits for all internal points

and normal probability distribution for
extrapolation beyond the first and last
data points. Constant first and second
derivatives at the nodes are assumed.
This method is default.
QUADRATIC
Successive quadratic approximations

to the shape of the input assay curve
are made.
PDF (NONE
or IP or EP
or BOTH)
A Probability Density Function is fitted

by least squares techniques to all
points on the curve supplied. The
argument indicates how the end points
should be treated during curve fitting.
The default of NONE means that
neither the initial point (IP) nor the end
point (EP) are to be considered fixed
points. Entering IP or EP or BOTH will
cause the fitting program to consider
the initial, end, or both as fixed, and
the resulting curve will pass through
the specified point or points. If the
initial or end point is not defined for an
assay, and the IP, EP or BOTH entry is
used, the curve will first extrapolate
linearly to the undefined end point and
then hold this point fixed for the PDF
fitting.
This entry defines the methods for calculating

pseudocomponent critical properties and enthalpy
curves. The allowable entries are:
I-6-3
MW
CONVERSION
GRAVITY
SIMSCI
A SimSci developed method (also

known as the Twu method) is used to
predict the properties listed above.
This is the default method.
CAVETT
Critical constants, TC, PC, ZC and ideal

gas enthalpies, are calculated with
CAVETT method. Yen-Alexander is
used for vapor pressure. The Edmister
method is used for acentric factor.
LK
Lee-Kesler method is used to predict

the properties listed above.
This entry is used to select the method for estimating

molecular weight from boiling point and Watson Kvalue in the absence of user supplied molecular
weights.
SIMSCI
This is the default method. It was

developed by SimSci to match the API
Technical Data Book method for 300 to
800 F boiling components, and it
better matches the available field data,
both above and below that
temperature range.
EXTAPI
1980 API Technical Data Book method

with adjustment for components
boiling below 300 F to better match
known pure component data.
CAVETT
Old (pre-1980) API Technical Data

Book method.
This entry is used to select the method for converting

between ASTM-D86 and TBP distillation curves.
API87
The 1987 API Technical Data Book

method (default).
API63
The Edmister correlations

recommended in the API Technical
Data Book prior to 1987.
EDOK
The Edmister-Okamoto correlation.
This entry is used to designate the method for

assigning gravities to each petroleum component set
of a given assay stream when only the average gravity
is given.
WATSONK
I-6-4
Assumes constant Watson K for all

components based on TBP
temperatures.
PRE301
This method assumes constant

Watson K for all components based on
ASTM temperatures. This option
provides compatibility with the
PROCESS flowsheet simulator prior to
PRO/II v3.01.
TBPIP=1,
TBPEP=98
These values define the volume percents for

determining the initial point (IP) and end point (EP)
temperatures when specifying streams and reporting
assay curves at output time. The initial point must be
within the range 0.01-5%. The endpoint must be
between 95-99.99%. Defaults are 1% and 98%
respectively. As the IP and EP approach the theoretical
limits of 0% and 100%, the points are increasingly
unstable and non-reproducible.
NBP
This entry is used to designate the method used for

calculating the normal boiling point of narrow cuts.
LV
NBP calculated from the volume

average. This is the default.
MID
NBP calculated from the midpoint of

the initial and final boiling points of the
narrow cut.
Component Definition for Synfuel Components (optional)

SYNCOMP
SYNCOMP
COMP#, {NAME, MW, DENS}, NBP,

{TYPE, ZNUM, CNUM}
Supplies data for a synfuel component of a specific type.

COMP#
This entry specifies the number of the

component in sequence. This entry is
required.
NAME
This entry supplies the component name

and may contain up to 12 alphanumeric
characters. This entry is optional.
MW
The component molecular weight. This

entry is optional.
DENS
This entry supplies the standard liquid

density of the component. The dimensional
units of the density are the same as that
given using the XDENS keyword on the
DIMENSION statement in the General Data
Category of input. This entry is optional.
I-6-5
NBP
This entry supplies the normal boiling point

of the component. The dimensional units
are the same as the problem input
temperature units. This entry is required.
TYPE
This optional entry specifies the

component type number 1 to 12 described
below:
1 - Paraffins
2 - Olefins
3 - Naphthenes
4 - Aromatics
5 - Naphthenoaromatics
6 - Cyclopentanes
7 - Cyclohexanes
8 - Furans, Benzofurans, Dibenzofurans
9 - Phenols, Naphthols
10 - Pyrroles, Indoles, Carbazoles
11 - Pyridenes, Quinolines, Acridines
12 - Thiophenes, Benzothiophenes,
Dibenzothiophenes
ZNUM
This supplies the hydrogen deficiency

number as given by:
CnH2n+ZNUM
CNUM
This entry specifies the carbon number

given by n in the formula above.
For the SYNCOMP statement, the NBP entry plus at least two of
the other five entries from the above list are always required. If the
user supplies more than two entries from the list above along with
the required NBP entry, the program will use the following
hierarchy in accepting data:
Hierarchal Data Supplied Order
I-6-6
1.
TYPE + CNUM
2.
TYPE + ZNUM
3.
TYPE + DENS
4.
TYPE + MW
5.
ZNUM + CNUM
6.
ZNUM + DENS
7.
ZNUM + MW
8.
CNUM + DENS
9.
CNUM + MW
10.
MW + DENS
For example, the user defines a naphthenoaromatic-type component

(SYN01) with a molecular weight of 700, normal boiling point of
950 F and a carbon number of 22 using the following statement:
SYNCOMP
1,SYN01,700,,950,5,,22
The user has supplied values for NBP, TYPE, CNUM, and MW.
Only the NBP, TYPE, and CNUM data are therefore accepted using
the hierarchal rules previously outlined. The MW data may thus be
changed to produce a consistent set of data with no conflicts.
Note: Commas must be retained when supplying data using
SYNCOMP statement so that the order of the entries is preserved.
Note: If the user does not specify the TYPE, the program will
choose the component type that best fits the data supplied.
SYNLIQ(W or V or M)
SYNLIQ
COMP#, NAME, MW, DENS,

NBP, P, O, N, A
Supplies data for a synfuel component that is a

mixture of different petroleum types. All entries are
required.
COMP#
This entry specifies the number of the

component in sequence. This entry
is required.
NAME
This entry supplies the component

name and may contain up to 12
alphanumeric characters. This entry
is required.
MW
The component molecular weight.

This entry is required.
DENS
This entry supplies the standard

liquid density of the component. The
dimensional units of the density are
the same as that given using the
XENS keyword on the DIMENSION
statement in the General Data
Category of input. This entry is
required.
I-6-7
NBP
This entry supplies the normal boiling

point of the component. The
dimensional units are the same as the
problem input temperature units.
This entry is required.
This required entry specifies the

percent paraffins contained in the
component. The basis corresponds
to the units given in the qualifier for
the SYNLIQ keyword. Weight basis is
the default.

percent olefins contained in the
the default.

percent naphthenes contained in the
the default.

percent aromatics contained in the
the default.
Note: The percent paraffins, olefins, naphthenes, and aromatics

(PONA) must sum to 100% within tolerance. Otherwise the
program will issue an error message.
The program will issue a warning message if the supplied

composition and normal boiling point do not predict the molecular
weight and specific gravity within 5%.
Examples
6.1: Defining TBP Cutpoints

All assay streams are to be divided into pseudocomponents with the
following cutpoints:
TBP Range (F)
100 - 800
I-6-8
Width of Desired Cuts (F)

35
Number of Cuts
20
800 -1200
50
CUTPOINTS TBPCUTS = 100,800,20/1200,8
Note that portions of the assay boiling under 100 F will be included
in the first cut, and those beyond 1200 F will be included in the last
cut.
6.2: Set Characterization Defaults
Use quadratic curve fitting, Cavett characterization, the older
(1963) API conversion correlations, and adjust the TBP end point
calculations to be made at 99%.
ASSAY
FIT= QUADRATIC, CHARACTERIZE= CAVETT, &

CONVERSION= API63, TBPEP= 99
I-6-9
I-6-10
Chapter 7
Note: Solid Components are not recommended with the pressure
drop correlations built into NETOPT. Users can create their own
pressure drop correlations to handle solids using NETOPT's useradded subroutine feature.
General Information
Components that can exist in the solid phase are identified on the
PHASE statement. They may be molecular (molecular weights
are given), or non-molecular (molecular weights are not given).
Molecular solid components may exist in any phase, but must be
given sufficient component properties to support the
thermodynamic generators used to predict multi-phase behavior.
Non-molecular solids may exist only in the solid phase.
Solid attributes are defined in the Component Data Category. For
pure component data the PROCESS bank is searched first by
default (see Table 2-1). However, the PROCESS bank does not have
data for VLS components. For these cases the user should select the
SIMSCI bank to search first for pure component data.
This program supports two classes of solid attributes:
1.
Particle size distribution (PSD). The user defines the size

intervals for each grouping of particles. For instance, the first
interval could be all particles between 0.0 and 0.02 mm, the
second between 0.02 and 0.10 mm, etc. In the Stream Data
Category, the actual fraction of each solid component will be
I-7-1
distributed to the corresponding interval. Solids with PSD

attributes may be either molecular or non-molecular.
2.
User defined GENERAL attributes. These are not used in any

of the standard PRO/II unit operations or calculational
procedures, but may be accessed via User-added Subroutines or
In-Line Procedures. A maximum of 100 GENERAL attributes
may be provided to each component.
Input Description
Solid Attributes (optional)
ATTR
COMP= i, j, {PSD(unit)= s0, s1,...,}

GENERAL= 10, {GNAME=text1, text2,...}
Solid attributes may be assigned to each solid component identified

on the PHASE statement. This program supports particle size
distribution and general, user-defined attributes.
COMP=i,j
The component number or range of components having the

attributes described on this ATTR statement. If i and j
are both given, all components from i to j have these
attributes. If j is not given, only component i has these
attributes.
PSD
Particle size distribution, defaulting to problem fine length

units. The first range has particles with diameters ranging
from s0 to s1. The second range has particles from s1 to s2,
etc. The last range is sn-1 to sn, where n is the number of
sizes given for this component.
GENERAL
Number of user defined solid attributes. Defaults to 10. Must

be less than 100.
GNAME
User defined names for each of the GENERAL attributes. A

maximum of 4 alphanumeric characters are allowed. If the
number of GNAME arguments are less than the GENERAL
integer value, in the remaining names are filled in. The
default assigned names are AT01, AT02, etc.
Pure Component Properties (optional)

Table 7-1 tabulates the pure component properties required to
model different classes of solid components. See Chapter 2,
Component Definition, for information on entering the different
phase classes. See Chapter 8 for information on how to enter
individual pure component properties.
I-7-2
Table 7-1: Pure Component Properties Data for Solids

Phase Class
Property
CP(S) or
ETHALPY(S)
DENSITY(S)
MW
NMP
FORMATION(L or S)
SPGR
ENTHALPY(L)
DENSITY(L)
HFUSION
R - Required data
LS
VLS
R
R
C
R
R
R
C
C
R
R
R
C
R
R
R
C
C
R
R
R
C
C - Conditional data -- may be required by certain unit operations
Note: For the VLS phase class, VL thermodynamic properties

require various pure component properties depending on the
thermodynamic calculational method. Use Table 8-1 to determine
pure component property requirements for each method.
Examples
7.1: Particle Size Distribution
Component 4 is a solid with particle size distribution from 0 - 500
microns. To characterize this distribution, it is divided into 5 ranges
as follows:
ATTR
Number
Range (Microns)
1
2
3
4
5
0-10
10-50
50-100
100-250
250-500
COMP=6, PSD(MIC)=0,10,50,100,250,500
7.2: GENERAL Attributes

Component 6 has attributes of moisture, organic content and ash
content, abbreviated MOIS, ORG and ASH respectively.
ATTR
COMP=6, GENERAL=3, GNAME= MOIS, ORG, ASH
I-7-3
7.3: Solid Component Enthalpy

The enthalpy of solid components 1 and 2 in BTU/lb are given in
the following table:
Component
T=100 F
200 F
300 F
1
2
122.1
80.9
153.3
-
187.2
171.0
ENTHALPY(BTU/LB,S, F)
TABULAR=100,200,300/&
1,122.1,153.3,187.2/ 2, 80.9, ,171.0
Note that an extra comma is required as a placeholder since a datum

for component 2 at 140 C is not given.
7.4: Component Attributes
This example provides a description of all the attribute features.
Seven components are specified for the flowsheet. Components 1,
2, 3 and 5 are library, while components 4, 6 and 7 are non-library.
The default phase is specified as VL. Component 2 and 6 are LS, 4
and 7 are S and 1 and 3 are VLS. Components 4 and 6 are described
using a PSD. Default values are used for the GNAME vector.
Components 6 and 7 are described using the GENERAL attribute of
length 5 and 7, respectively. The first three elements in the
GENERAL vector are assigned names, with the remainder being
assigned default names.
TITLE PROJ=SOLIDS, PROB=EX-6.4, USER=SimSci
DIMEN ENGLISH
PRINT STREAM=PART
$
COMPONENT DATA
LIBID 1,WATER/2,NACL/3,HCL/5,METHANE/6, KCL
BANK=SIMSCI, PROCESS
NONLIB 4,COAL/7,PULP
PHASE DEFAULT=VL, VLS=1, LS=2, VLS=3, S=4, LS=6, S=7
ATTR COMP=4, PSD(IN)=0.01, 0.8, 1.0, 5.0
ATTR COMP=6, PSD(MIC)=50.,100.,250.,500., GENERAL=5
ATTR COMP=7, GENERAL=7, GNAME=MOIS,ORG,ASH
$
ENTH(L,J/KG,K,WT) CORR=1, DATA=6,,, 0.49E+03, 0.35E+03
ENTH(S,J/KG,K,WT) CORR=1, DATA=4,,, 0.35E+03, 0.25E+03
$
DENS(L,KG/M3,K,WT) CORR=1, DATA=6,,, 0.75E+03
DENS(S,K,KG/M3,WT) CORR=1, DATA=4,,, 1.25E+03
$
THERMODYNAMIC DATA
I-7-4
METHOD SYSTEM=IDEAL
...
I-7-5
I-7-6
Chapter 8
General Information
The calculation of thermodynamic properties requires various pure
component property data. Pure component data requirements
depend on the thermodynamic methods that are selected. For example, the Soave-Redlich-Kwong equation of state uses critical temperature, pressure, and acentric factor or alpha coefficient data, but
not normal boiling point temperatures. Components chosen from
the SIMSCI library or characterized from assay data normally contain all the data required. Non-library components must be given
user-supplied pure component properties.
Data Requirements
See Chapter 7, Solid Component Properties, for the special pure
component data requirements for solid-forming components.
All vapor/liquid forming components require molecular weight,
either specific gravity or API gravity, a vapor pressure curve, and an
ideal enthalpy curve.
Table 8-1 lists the pure component data required by each method
used for computing thermodynamic and transport properties. The
indicated pure component data may be retrieved from specified data
banks, generated using FILL options, or supplied by the user. Missing data generate errors that terminate program execution upon
completion of input processing.
I-8-1
The following legend applies to the Table 8-1.

Properties
Legend
Keyword
Description
Tc
TC
Critical temperature
Pc
PC
Critical pressure
ACENTRIC
Acentric factor
MV
MOLVOL
Liquid molar volume
Vc
VC
Critical volume
Zc
ZC
Critical compressibility factor
Zra
RACKETT
Rackett parameter
vdW
VANDERWAALS
van der Waals area and volume
DM
DIPOLE
Dipole moment
Rad
RADIUS
Radius of gyration
NBP
NBP
Normal boiling point (temperature)
SP
SOLUPARA
Hildebrand solubility parameter
Ho
ENTHALPY(V)
Ideal vapor enthalpy
Hvap
LATENT
Latent heat of vaporization
Hl
ENTHALPY(L)
Saturated liquid enthalpy
VP
VP
Vapor pressure
SpGr
SPGR
Specific gravity
API
API
API gravity
The user may supply these data in

either the Component Data or the
Thermodynamic Data Category.
The user may supply these data only

in the Component Data Category.
Either of these symbols (X or C) indicates the data are required and the user must
supply them if they are not otherwise available.
I-8-2
Table 8-1: Required Pure Component Data For Property Generators

Method
Tc Pc MV Vc Zc Zra vdW DM Rad NBP SP
SRK, SRKKD, SRKH
SRKP, SRKM, SRKS, HEXA
PR, PRH, PRP, PRM
BK10
GS
CS
BWRS, LKP
IDEAL
UNIWAALS
NRTL
UNIQUAC, UNQ4
WILSON
VANLAAR
MARGULES
REGULAR
FLORY
UNIFAC
UFT1/2/3
UNFV
ALCOHOL
GLYCOL
SOUR
VANTHOFF
SOLDATA
API
COSTALD
HOCV, IDIMER
RACKETT
TVIRIAL
X
X
X
X
X
C
X
LIBRARY
U1-U15
I-8-3
Table 8-2: Required Data for All Non-solid Components

SpGr or
Hvap
Method
API
VP
Ho
All methods
HIiq
IDEAL enthalpies
Equation of state
enthalpies
Hierarchy
The hierarchy that governs the use of pure component data is:
1.
Use any method-specific data supplied on data statements for

each property in each method set.
2.
Use applicable default values supplied on data statements following a KVALUE statement (in the same method set).
3.
Use data supplied in the Component Data category of input.
4.
Use data stored in the component libraries. See the BANK

option in Chapter 2, Component Definition.
5.
Use automatic estimation methods, if possible. See the FILL

option in Chapter 2, Component Definition.
6.
Otherwise, if data are still missing, print an error message.
Input Description
Pure Component Properties (optional)
Component invariant properties and constants
I-8-4
MW
i, value/...
SPGR
i, value/...
API
i, value/...
NBP(unit)
i, value/...
ACENTRIC
i, value/...
VC(unit, M or WT)
i, value/...
TC(unit)
i, value/...
PC(unit)
i, value/...
ZC
i, value/...
RACKETT
i, value/...
CNUM
i, value/...
ZNUM
i, value/...
DIPOLE(unit)
i, value/...
RADIUS(unit)
i, value/...
SOLUPARA
i, value/...
MOLVOL(unit)
i, value/...
STDDENSITY(unit)
i, value/...
HCOMBUST(unit, M or WT)
i, value/...
HVAPORIZE(unit, M or WT)
i, value/...
HFUSION(unit, M or WT)
i, value/...
NMP(unit)
i, value/...
PTP(unit)
i, value/...
TTP(unit)
i, value/...
GHV(unit, M or WT)
i, value/...
LHV(unit, M or WT)
i, value/...
SVTB
i, value/...
SLTB
i, value/...
SLTM
i, value/...
HVTB
i, value/...
HLTB
i, value/...
HLTM
i, value/...
Component invariant special properties

property(qualifier)
DATA(unit)
INDEX
REFVALUE(unit)=value}
i, datvalue/ ...,
i, indvalue/ ...
For user-defined special refinery properties:

SPROP(i)
DATA(unit)
INDEX
{GAMMA=1.0, REFINDEX=value,
REFVALUE(unit)=value, NAME=text}
i, datvalue/ ...
i, indvalue/ ...
I-8-5
Note: The SPROP qualifier i is any integer from 1 to 9999. Up to

60 SPROP statements may be given in any one problem.
The special refinery properties available are described in Table 8-4.

The special property statements above supply the special property
data or index entries on a component basis. These properties are not
used unless the property calculation method is specified on the
METHOD statement in the Thermodynamic Data Category of input
(see Volume II, Chapter 8, Transport and Special Properties). The
basis used in blending pure component properties (M or WT or LV)
is also specified on the METHOD statement in the Thermodynamic
Data Category of input.
GAMMA,
REFINDEX,
REFVALUE
These entries must be supplied if the INDEX or

SIMSCI stream mixing method is chosen on the
METHOD statement. These entries are used to
determine the inter-relationship between a property
value and its corresponding index value. The
equations used to convert from data value to index
depends on the property. If the INDEX method is
chosen on the METHOD statement, the conversion
equation used is:
(1)
1.0
log 10 ( INDEX ) = ----------------------- log 10 ( VALUE ) + CONSTANT
GAMMA
If the SIMSCI method is chosen for the cloud point,

the conversion equation is:
(2)
(INDEX)
GAMMA
( CPF + 460.00 )
= -------------------------------------------------------------------------------exp(6.39693-9.21034*GAMMA)
where GAMMA=0.05 is the default.

The property indices are then blended on a molar or
weight or liquid volume fraction basis to provide the
stream property value:
NOC
INDEX blend =
Zi *INDEXi
(3)
i=1
I-8-6
where:
NOC
Zi
= number of components
= component i molar, weight,
or liquid volume fraction
INDEXi = index value for component i
obtained from equations (1)
or (2) above
INDEXblend = blended index value for
the whole stream
The blended stream property is then back-calculated

using equation (1) or (2).
NAME
This entry is used to provide a descriptive name to the

user-defined stream special property. It may contain
up to 24 alphanumeric characters including
embedded blanks, but excluding delimiters. It serves
only to identify the special property in the stream
summary, and does not have to be unique. The
keyword is only valid for the user-supplied special
property statement, SPROP(i).
DATA,
INDEX
These entries are used to provide data or index values

for stream special properties on a component basis.
The unit qualifier on the DATA entry need not be
consistent with property qualified on the REFVALUE
keyword. If the unit qualifier is not given, the property
unit defaults to input units based on the special
property units. A data and an index entry cannot be
given for the same component. The data and index
values are related by the equations (1) and (2) above.
Properties with dimensions automatically default to problem units.

Dimensions may be overridden locally on each property data entry
statement.
I-8-7
Table 8-3: Pure Component Invariant Property Constants

<property>
(unit)
Description
MW
Molecular weight
SPGR
Specific gravity (60/60)
API
API gravity
STDDENSITY
liquid density
Standard liquid density
NBP
temperature
Normal boiling point
ACENTRIC
I-8-8
Acentric factor
VC
volume/mole or
volume/mass
Critical volume
TC
temperature
Critical temperature
PC
pressure
Critical pressure
ZC
Critical compressibility
factor
RACKETT
Rackett parameter
CNUM
Carbon number
ZNUM
Hydrogen deficiency
number
DIPOLE
dipole moment
Dipole moment
RADIUS
length
Radius of gyration
SOLUPARA
fixed, (calc/cc) 1/2
Solubility parameter
MOLVOL
Mole Volume
Liquid molar volume
HCOMBUST
energy/mole (default) or
energy/mass
Heat of combustion
HVAPORIZE
energy/mass
Heat of vaporization
HFUSION
energy/mass
Heat of fusion
NMP
temperature
Normal melting point
PTP
pressure
Triple point pressure
TTP
temperature
Triple point temperature
GHV
energy/weight
Gross heating value
LHV
energy/weight
Lower heating value
Table 8-3: Pure Component Invariant Property Constants

<property>
(unit)
Description
SVTB*
fixed, KJ/GMOL-K
Vapor enthalpy
departure at NBP
SLTB*
fixed, KJ/KGMOL-K
Vaporization entropy
change at NBP
SLTM*
fixed, KJ/KGMOL
Liquid entropy change

from NBP to NMP
HVTB*
fixed, KJ/KGMOL
Vapor enthalpy
departure at NBP
HLTB*
fixed, KJ/KGMOL
Vaporization enthalpy
change at NMP
HLTM*
fixed, KJ/KGMOL-K
Liquid enthalpy
change from NBP to NMP
*These properties are not required but reduce CPU time by providing constants for phase transitions.
Table 8-4: Keywords for Special Stream Refinery Properties

Keyword
Property
qualifier1
unit
KVIS
Kinematic viscosity M or WT or LV
POUR
Pour point
temperature
M or WT or LV
temp
CLOUD
Cloud point
temperature
M or WT or LV
temp
FRZP
Freeze point
temperature
M or wt or LV
temp
CFPP
Cold filter plug

point
M or wt or LV
temp
FLPT
Flash point
temperature
M or WT or LV
temp
RON
Research octane
number
C or L, M or WT or
LV
MON
Motor octane
number
C or L, M or WT or
LV
IBP
Initial boiling point
temp
FBP
Final boiling point
temp
kvis-unit
1
For those properties with qualifiers frac, ppm, or pct, any one of these three qualifiers may be
specified. The qualifier frac or ppm or pct indicated is the default for that property.
I-8-9

Keyword
Property
qualifier1
unit
RCR
Ramsbottom
carbon
M or WT or LV
TAN
Total acid number
M or WT or LV
OLEF
Olefinic content
M or WT or LV
CETA
Cetane index
CETN
Cetane number
M or WT or LV
REFR
Refractive Index
C20 or C70, M or
WT or LV
ANIL
Aniline point
M or WT or LV
AROM
Aromatics content
TOTA or RING, M
or WT or LV, frac
WTAR
Weight aromatic
content
NAPH
Naphthene content M or WT or LV, frac
WTNA
Weight naphthenic
content
PARA
Paraffin content
M or WT or LV, frac
WTPA
Weight paraffinic
content
NPHL
Naphthalene
content
M or WT or LV, frac No GAMMA, REFI,

or REFV entries
allowed
H2
Hydrogen content
WT, frac
CARB
Carbon content
WT
CHRA
Carbon-hydrogen
ratio
WT
SMOK
Smoke point
M or WT or LV
No GAMMA, REFI,
or REFV entries
allowed
No GAMMA, REFI,
or REFV entries
allowed
No GAMMA, REFI,
or REFV entries
allowed
No GAMMA, REFI,
or REFV entries
allowed
No GAMMA, REFI,
or REFV entries
allowed
1 For those properties with qualifiers frac, ppm, or pct, any one of these three qualifiers may be
I-8-10

Property
qualifier1
LUMI
Luminometer
number
M or WT or LV
SULF
Sulfur content
M or WT or LV, frac
MERC
Mercaptan content WT, frac
No GAMMA, REFI,
or REFV entries
allowed
ASUL
Aliphatic sulfur
content
WT
No GAMMA, REFI,
or REFV entries
allowed
NITR
Nitrogen content
TOTA or BASI or
NONB, WT, frac
OXYG
Oxygen content
WT, frac
CCR
Conradson carbon
M or WT or LV, frac
NICK
Nickel content
WT, frac -
VANA
Vanadium content
WT, frac
IRON
Iron content
WT
ASPH
Asphaltene content C5 or C7, WT, frac
PHEN
Phenol content
WT
No GAMMA, REFI,
or REFV entries
allowed
ANEU
Neutralize number
WT or LV
No GAMMA, REFI,
or REFV entries
allowed
BROM
Bromine number
WT or LV
No GAMMA, REFI,
or REFV entries
allowed
MEAB
Mean average
boiling point
CABP
Cubic average
boiling point
MOAB
Molal average
boiling point
NHV
Net heating value
Keyword
unit
No GAMMA, REFI,
or REFV entries
allowed
No GAMMA, REFI,
or REFV entries
allowed
I-8-11

Keyword
qualifier1
Property
unit
WAX
Wax content
WT, frac
ASH
Ash content
WT, frac
NOAC
Noack volatility
SOFT
Softening point
WT or LV
PEN
Penetration index
M or WT or LV
SPROP
User-defined
special property
No GAMMA, REFI,
or REFV entries
allowed
1
Multi-property entries
FORMATION (V or L or S, unit, M or WT) i, enthalpy, Gibbs/...
The FORMATION statement supplies the heat of formation and

Gibbs free energy of formation for a component at vapor (default)
or liquid or solid phase conditions, and at 25 C. Values are given in
dimensions of energy/mole or energy/weight units.
i
Component number.
enthalpy
Enthalpy of formation.
Gibbs
Gibbs free energy of formation
van der Waals parameters for pure components

VANDERWAALS
i, area, volume/...
Component number.
area
van der Waals area parameter

(dimensionless)
volume
van der Waals volume parameter

(dimensionless)
area parameter = Awk /(2.5 x 109)

volume parameter = Vwk/15.17
where: Awk =van der Waals area for component i, (cm2/g mole)
Vwk = van der Waals volume for component i, (cm3/g mole)
I-8-12
Component temperature-dependent properties

Temperature dependent pure component properties may be entered
in equation or tabular form.
General format:
<Property>(phase, tunit, propunit, M or WT)
CORRELATION= icorr, LN or LOG or EXPFAC=ipos,
DATA= i, tmax, tmin, c1, ..., c8 /...
or
TABULAR= t1, t2, .... /i, p1, p2, ... /...
allowable phase
I-Ideal Gas, V-Vapor, L-Liquid, S-Solid phase.
tunit
Temperature units used in correlation or tabular data:

F, R, C, K. Defaults to problem temperature units.
propunit
Specific to each property. See Table 8-4.
allowable basis
M-Mole, WT-Weight
CORRELATION
The correlation form for equation based data. See

Table 8-6.
LN or LOG
For equation forms involving logarithm terms,

selects base e or base 10. Default is LN.
or
EXPFAC
Exponential constant F used for correlations 3 and 4.

Must be a positive integer.
DATA
Data entry for equation based correlations:

i
Component number.
tmax,
tmin
Temperature limits for the data. Must be

entered for Chebychev Equations;
optional for others.
c1, ..., c8
Equation coefficients.
or
TABULAR
Data entry for tabular based data.

t1, ...
Temperatures at which tabular data are

entered. Corresponds to data points
p1,... . A minimum of one point must be
given.
Component number.
I-8-13
p1, ...
I-8-14
Data values at temperatures t1,... . A

minimum of one value must be given. It
is not necessary to provide a value for
every temperature point. A placeholding comma must be supplied for
every value skipped. For vapor
pressures and viscosities, interpolation
is ln(p) vs. 1/t where t is absolute
temperature. For all others, a linear p
vs. t is used.
Table 8-5: Pure Component Temperature-dependent Properties

allowable
<property>
phase
propunit
description
VP
L or S
pressure
vapor pressure
ENTHALPY1
I or L
energy/mole(def)
or energy/mass
ideal gas or
liquid enthalpy
ENTHALPY1
or
CP1,3
energy/mole(def)
or energy/mass
heat capacity
solid enthalpy
LATENT1
N/A
energy/mole(def)
energy/mass
latent heat of
vaporization
DENSITY2
VISCOSITY
CONDUCTIVITY
L or S
V or L
V or L or S
density
viscosity
conductivity
density
absolute viscosity
thermal conductivity
SURFACE
surface tension
surface tension
solid heat capacity
By default this property is calculated on a mole basis (M). Weight basis is available optionally by using the WT entry.
By default this property is calculated on a weight basis (WT). Mole basis is available optionally by using the M entry.
3
Only correlation #1 may be used for this property.
Temperature units must be in Kelvin for entropy calculations.
2
Component temperature-dependent special properties

The KVIS statement provides the kinematic viscosity data or index
entries on a component basis. This property is not used unless the
property calculation method is specified on the METHOD statement in the Thermodynamic Data Category of input. The basis used
in blending kinematic viscosity (M or WT or LV) is also specified
on the METHOD statement in the Thermodynamic Data Category
of input. If data or index values are not supplied, the kinematic viscosity is computed using the Twu method1.
KVIS(M or WT or LV)
{GAMMA = value, REFINDEX = value,

REFVALUE(kvisunit) = value},
DATA(tunit, kvisunit) = t1, t2, .... /i, p1, p2, ... /...,
INDEX(tunit) = t1, t2, .... /i, p1, p2, ... /...
I-8-15
GAMMA,
REFINDEX
REFVALUE
These entries must be supplied if the INDEX or

SIMSCI stream mixing method is chosen on the
METHOD statement. These entries are used to
determine the inter-relationship between a property
value and its corresponding index value. The
equations used to convert from data value to index
depends on the property. If the INDEX method is
chosen on the METHOD statement, the conversion
equation used is:
(1)
1.0
log 10 ( INDEX ) = ----------------------- log 10 ( VALUE ) + CONSTANT
GAMMA
If the SIMSCI method is chosen for the KVIS, the

conversion equation is:
(2)
INDEX
Gamma
= 72.0509 22.1322*ln ( KVIS ) + 4.35618*

2
[ ln ( KVIS ) ] 0.458592 [ ln ( KVIS ) ] + 0.0184378*

[ ln ( KVIS ) ]
where GAMMA=0.05 is the default.

The property indices are then blended on a molar or
weight or liquid volume fraction basis to provide the
stream property value:
NOC
INDEX blend =
Zi *INDEXi
(3)
i=1
where:
NOC
= number of components
Zi
= component i molar, weight, or liquid

volume fraction
INDEXi
= index value for component i obtained

from equations (1) or (2) above.
INDEXblend = blended index value for the whole

stream.
The blended stream property is then back-calculated
using equation (1) or (2).
I-8-16
DATA,
INDEX
These entries are used to provide data or index values

for stream kinematic viscosity on a component basis.
The kvisunit qualifier is for kinematic viscosity units
(CST, centistokes, IN/S, inch per second, or ST,
stokes). The unit qualifier on the DATA entry need not
be consistent with the unit qualifier on the REFVALUE
keyword. If the kvis-unit qualifier is not given, the
property unit defaults to input units based on the
kinematic viscosity. Both DATA and INDEX entries are
not allowed for the same component.
t1, t2
These are the temperatures at which

data and/or index values will be
supplied. The tunit qualifier applies to t1
and t2 for temperatures. A maximum of
two temperatures may be entered. If t2
is not given, it is set equal to t1. t1 and t2
must be the same for entries on the
DATA and INDEX keywords in the same
KVIS statement.
This number provides the component id

number.
p1, p2
These entries provide the data or index

values at temperatures t1 and t2. If only
one temperature (t1) is given, p2 entries
are not allowed and are set internally
equal to p1.
I-8-17
Table 8-6: Standard Equation Forms for Temperature-dependent Properties

# Corr
Description/Uses
Equation Form
1
Polynomial
Ideal Vapor Enthalpy
Liquid Density
Liquid Thermal Conductivity
Vapor Thermal Conductivity
Liquid Surface Tension
Solid Heat Capacity
Chebychev
(see correlation 22)
Prop =
CiT
i1
i=1
Prop =
C i E(X)i 1
i=1
Polynomial in reduced
temperature where
F = EXPFAC entry.
Polynomial in (1 - Tr)
where F = EXPFAC entry.
Latent Heat of Vaporization
Liquid Density
13
Prop =
C i Tr
(i 1 ) F
i=1
n
Prop =
C i ( 1 Tr )
( i 1) F
i=1
C2
C1 T
Prop = -------------------( C3 + T )
Liquid Viscosity
Prop = C e ( C 1 X
5
13
+ C2 X
43
C 3 T
where X= ----------------
T C 4
14
Vapor Pressure
x
2
5
ln(Prop) = C 1 + ----- [ C2 + C3 x + C 4 x + C5 x ]
T
r
P
where X = ( 1 Tr ) and Prop = -----Pc
15

Prop = C 1 ( 1 T r )
x
2
where X = C 2 + C 3 T r + C 4 T r + C 5 T r
16
Liquid Density
Prop = C1 C 2
T C4
where X = 1 + 1 -----
C 3
17
19

Liquid Viscosity
I-8-18
Prop = C 1 + C 2 T + C3 C 4 coth ( C 4 T )C 5 C6 tanh ( C 6 T )
Prop = C 1 T
C2
C
C
1 + ------3 + ------4
2
T

# Corr
Description/Uses
Equation Form
20
Vapor Pressure
Liquid Viscosity
C
C5
ln (Prop) = C 1 = ------2 + C 3 In T + C4 T
T
3
+C 6 T + C 7 T
21
Vapor Pressure
Liquid Viscosity
C2
2
ln (Prop) = C1 + --------------- + C4T + C5 T
C +T
3
Prop
+ C 6 ln ( T ) + C7 ------------2
T
22
Chebychev
Vapor Pressure
T ln ( Prop ) =
C j E ( X )j 1
j=1
E ( X ) 0 = 1.0
E (X )1 = X
E ( X ) n = 2XE n 1 E n 2
2T ( T max + T min )
X = -----------------------------------------------T max T min
25

Prop =
C1 T
(j 1)
i=1
26
Vapor Viscosity
C
C
+ ------6 + ------7
T T2
6
C1 T
2.669 10
Prop = --------------------------------------------------------------------------------------------------2
0.14874
0.7732X
+ 0.52847e
C 2 [ 1.1645 X
+2.16178e
2.43787X
+ 0.2C 4 ]
T
X = -----C3
27
Vapor Viscosity
C3
Prop = C 1 T r 1 + C2 T r ( 1 T r )
30
Prop = C 1 ( 1 T r )
32
Liquid Density
Prop = C 1 + C 2 ( 1 Tr )
C2
1--6
[ 1 + C3 ( 1 T r ) ]
0.35
+ /C3 ( 1 T r )
+C4 ( 1 T r ) + C 5 ( 1 T r )
33
23
43
Tr
Prop = --------------------------------------------------------------2
3
C1 + C2 X + C3 X + C4 X
1
X = ----Tr
34
where X = ( 1 T r )
Prop = C 1 [ 1 + C2 X + C3 X + C4 X ]
13
I-8-19

# Corr
Description/Uses
Equation Form
35
Liquid Enthalpy
Prop = C 1 [ C 2 ln(X) + C 3 X + C4 X +
3
C5 X + C6 X + C 7 X ]RTc
where X = 1 T r
36
X = (1 Tr)
41
18
Prop = [ C1 X + C2 X + C3 X + C 4 X + C5 X ]RT c
13
n1
C
Prop = C 1 + ------2 + C 3 ln(X) +
X
Ci X
(i 3 )
i=4
where X = 1 ( 1 + T C n ) and 4 n 8
42
Liquid Enthalpy
Prop =
CiT
(i 1)
+ C 7 ln ( C8 T )
i=1
43
46
Liquid Enthalpy
(DIPPR Correlation 114)
Tc T
Prop = C 1 ------------------
T c T b
c2
Prop = C 1 T c (C 2 ln t + C 3 t C2 C4 t C2 C5 t /
2 4
2 6
(3 C 4 t / 12 C4 C5 t / 10 C 5 t /30))
where t = 1 T/T c
47
Vapor Pressure
(Wagner Equation - 1st form)
1.5
ln(Prop) = ( TC T ) ( C 1 t + C2 t + C 3 t + C 4 t )
where t = 1 T T c
PProp = ----Pc
48
Vapor Pressure
(Wagner Equation-2nd form)
ln(Prop) = ( TC T ) ( C 1 t + C2 t
1.5
+ C3 t
2.5
+ C4t )
where t = 1 T T c
P
Prop = -----Pc
Note: Equation forms 6-12, 18, 23, 24, 28, 29, 31, 37-40, 44, and
45 are presently reserved for internal use.
I-8-20
Examples
8.1:
Supplying Molecular Weight

Assign a molecular weight of 114.23 to component 8.
MW
8.2:
8, 114.23
Supplying Properties with Dimensions

Assign a Tc of 221 C to component 5, a heat of vaporization
of 121 Btu/lb for component 6, and a heat of vaporization of
11,101 Btu/lb-mole for component 7.
TC(C) 5,221
HVAP(BTU/LB,WT) 6,121
HVAP(BTU/LB,M) 7,11101
or
HVAP(BTU/LB) 7,11101
8.3:
Supplying Heat of Formation

The heat of formation of component 8 is 15000 Kcal/Kgmole and its free energy of formation is 800 Kcal/Kg-mole.
FORMATION(KCAL/KG)
8.4:
8,15000,800
Supplying Ideal Gas Enthalpy Data

The ideal gas enthalpy is given for components 1 and 2 in
tabular form in Kcal/Kg-mole:
Component
T = 100 C
140 C
180 C
700,000
825,000
910,000
410,000
470,000
ENTHALPY(I,C,KCAL/KG,M)
TABULAR = 100,140,180/&
1,700000,825000,910000/&
2,410000, ,470000
Note: An extra comma is required as a placeholder since a datum

for component 2 at 140 C is not given.
I-8-21
8.5:
Supplying Vapor Pressure Data

The vapor pressures for two components are given in Antoine
equation form (correlation 21):
1068
ln ( P 1 ) = 14.321 -----------------t + 60.3
1372
ln ( P 2 ) = 16.15 --------------t + 1.7
where P is in mmHg and t is in degrees C.
VP(C,MMHG) CORR = 21, LN,
DATA=1,,,14.321, -1068, 60.3/ &
2,,,16.15, -1372, 1.7
Note: Extra commas are required as placeholders since data for

tmin and tmax are not given.
I-8-22
Chapter 9
General Information
This program supports the UNIFAC method for predicting liquid
activity coefficients. Components chosen from the component
library have built in structural definitions. User supplied
components require structural data if UNIFAC is to be used.
Input Description
Component Structural Data for UNIFAC (optional)
The STRUCTURE and GROUP statements may be used to provide
data for non-library components for use with the UNIFAC method.
In addition, the predefined data for library components may be
overridden.
Available group data are given in Table 9-1. Groups are denoted
with a four digit integer with an iijk format. ii represents a
major grouping of components. j denotes a subgroup and k
identifies individual groups. Major groups of 70-99 are reserved for
user-defined structural groups (corresponding to individual group
identifiers of 7000-9999).
STRUCTURE
i, igroup(n)/ ...
This statement is used to define the individual structural groups for

any component(s). If desired, the individual structural groups for
any library component may also be redefined.
I-9-1
Component number.
igroup(n)
The four digit identifier for an individual structural

group contained in the component with n being
used to define the number of such groups. Up to
10 individual structural groups may be defined for
any component.
GROUP
igroup, Qj, Rj
This statement is used to define new structural groups and override

the van der Waals area and volume values.
igroup
A four digit individual group identifier. Existing

groups may be identified from Table 9-1. Use
7000-9999 for user defined groups.
Qj
van der Waals area parameter for the individual

group.
Qj = Awj /(2.5 x 109)
where Awj = van der Waals area for group j, (cm2/
g-mole).
Rj
van der Waals volume parameter for the individual

group.
Rj = Vwj /15.17
where Vwj = van der Waals area for group j, (cm3/
g-mole).
Examples
9.1: For demonstration purposes, normal butane and benzene are
entered with UNIFAC structural data and van der Waals
group parameters. In practice, these data are available
automatically for library components and would not be
entered.
COMPONENT DATA
LIBID 1,NC4/2,BENZENE
STRUCTURE 1,0900(2),0901(2)/2,1200(6)
GROUP 0900,0.848,0.9011/0901,0.540,0.6744/&
1200,0.400,0.5313
I-9-2
Table 9-1: UNIFAC Interaction Groups

Name
Acids
Alcohols
Aldehydes
ii
Structure
010
01
O
||
COH
011
01
ACOH
01
O
O
||
||
COC
020
02
OH
021
02
CH2CH2OH
(021)
02
OH
|
CHCH3
(021)
02
OH
|
CHCH2
(021)
02
|
CCH2OH
|
027
02
CH2OH
03
CH=O
I-9-3

Name
Amides
I-9-4
ii
Structure
040
04
O
||
CNH2
(040)
04
O
||
CNHCH2
(040)
04
O
||
CNHCH3
(040)
04
O
||
HCNH
043
04
O CH2
|| |
CNCH2
(043)
04
O CH3
|| |
CNCH3
(043)
04
O CH2
|| |
CNCH3
046
04
O CH3
|| |
HCNCH3
(046)
04
O CH3
|| |
HCNCH2

Name
Amines
Ethers
ii
Structure
050
05
CH2NH2
(050)
05
|
CHNH2
(050)
05
|
CNH2
|
052
05
CH3NH
(052)
05
CH2NH
(052)
05
|
CHNH
(055)
05
ACNH2
056
05
|
N
(055)
05
ACNH
(055)
05
|
ACN
059
05
|
CH2N
059
05
|
CH3N
060
06
CH3O
(060)
06
CH2O
(060)
06
|
CHO
(060)
06
|
CN H2ON
(060)
06
|
CN HON
(060)
06
ACO
(060)
06
|
CO
|
I-9-5

Name
Esters
Chlorine
Derivatives
I-9-6
ii
Structure
070
07
O
||
CH3CO
(070)
07
O
||
CH2CO
(070)
07
O
|
||
CHCO
073
07
O
||
HCO
076
07
O
||
CO
08
Cl
081
08
CH2Cl
(081)
08
|
CHCl
(081)
08
|
CCl
|
084
08
CI
|
CHCl
(084)
08
CI
|
CCl
|
086
08
CI
|
ClCCl
|
087
08
ACCl
088
08
Cl(C=C)

Name
Paraffins
Naphthenes
Unsaturated
Hydrocarbons
ii
Structure
090
09
CH3
(090)
09
CH2
(090)
09
|
CH
(090)
09
|
C
|
(090)
10
CNH2
(090)
10
|
CNH
(090)
10
|
CN
|
110
11
CH2=CH
(110)
11
CH=CH
(110)
11
|
CH2=C
(110)
11
|
CH=C
(110)
11
| |
C=C
114
11
C=C
(114)
11
C=CH
(110)
11
CNH=CH
(110)
11
|
CNH=CN
(110)
11
| |
CN=CN
(110)
11
|
CN=CH2
(110)
11
|
CN=CH
I-9-7

Name
Aromatics
Ketones
Nitrogen
Derivatives
I-9-8
ii
Structure
120
12
ACH
(120)
12
AC
122
12
ACCH3
(122)
12
ACCH2
(122)
12
|
ACCH
(122)
12
|
ACC
|
130
13
O
||
CH3C
(130)
13
O
||
CH2C
(130)
13
O
||
CNH2CN
140
14
CH2CN
141
14
CH2NO2
(141)
14
|
CHNO2
143
14
ACNO2
144
14
(C5H4N)
(144)
14
(C5H3N)
(052)
14
CNH2NH
14
=CNHNH
14
CH=CHCN
14
N=C=O

Name
Sulfur Derivatives
ii
Structure
150
15
CH2SH
151
15
CH3S
(151)
15
CH2S
(151)
15
|
CHS
(151)
15
|
CS
|
(151)
15
CNH2S
(151)
15
|
CNHS
153
15
Thiophene
(153)
15
|
C4 H 3 S
(153)
15
|
C4 H2 S
I-9-9

Name
Individual
Compounds
I-9-10
ii
Structure
161
16
Methanol
162
16
Water
(050)
16
Methyl Amine
(140)
16
Acetonitrile
(010)
16
Formic Acid
(084)
16
Dichloro Methane
(086)
16
Chloroform
168
16
Carbon Tetrachloride
(141)
16
Nitromethane
170
17
Carbon Disulfide
171
17
Furfural
(144)
17
Pyridine
(114)
17
Acetylene
(385)
18
Ethylene Glycol
18
Glycerine
(030)
18
Fomaldehyde
(040)
18
Formamide
(150)
18
Methyl Mercaptan
(081)
19
Methyl Chloride
19
Methyl Bromide
(281)
19
Methyl Fluoride
203
20
Acrylonitrile
247
24
Dimethyl Sulfoxide
(110)
24
Ethylene
(046)
24
Dimethyl Formamide
250
25
NMP
251
25
Morpholine

Name
Silanes
Siloxanes
Fluorine
Derivatives
ii
Structure
260
26
SiH3
(260)
26
SiH2
(260)
26
|
SiH
|
(260)
26
|
Si
|
270
27
SiH2O
(270)
27
SiHO
|
(270)
27
|
SiO
|
28
281
28
CH2F
(281)
28
|
CHF
(281)
28
|
CF
|
28
F
|
CHF
(281)
28
|
CF
|
F
(281)
28
F
|
CF
|
F
287
28
ACF
I-9-11

Name
ii
Structure
291
29
Trichlorofluoromethane
(291)
29
CCl2F
(291)
29
Dichlorofluoromethane
(291)
29
CHClF
(291)
29
CClF2
(291)
29
Chlorodifluoromethane
(291)
29
Chlorotrifluoromethane
(291)
29
Dichlorodifluoromethane
Bromine
Derivatives
300
30
Br
Iodine Derivatives
320
32
Chlorosilanes
330
33
SiH3Cl
33
SiH2Cl
33
|
SiHCl
33
|
SiCl
|
34
SiH2Cl2
SiHCl2
|
SiCl2
SiCl3
SiCl3
Chlorofluorocarbo
ns
340
350
Polyfunctional
Note:
I-9-12
35
360
36
SiCl4
38
|
NH2CHCH2OH
388
38
OCH2CH2OH
(388)
38
|
OCHCH2OH
CN is a naphthenic ring carbon,

ON is a naphthenic ring oxygen,
AC is an aromatic carbon.
Index
A
Available Pure Component Banks , I-2-3
C
Component Data
General Information , I-1-1
Component Definition , I-1-2, I-2-1, I-2-2
Allowable Phases , I-2-4
Examples , I-2-5
Component Library , I-1-5
Component Properties , I-1-3, I-1-6
Component invariant properties and
constants , I-8-4
Component invariant special properties , I-8-5
Data Requirements , I-8-1
Equation Forms for Temperature-dependent
Properties , I-8-18
Examples , I-8-21
Hierarchy of Pure Component Data , I-8-4
Invariant properties and constants , I-1-3
Invariant special properties , I-1-4
Multi-property entries , I-1-4, I-8-12
Pure Component Invariant Property
Constants , I-8-8
Required Data for All Non-solid
Components , I-8-4
Required Pure Component Data For Property
Generators , I-8-3
Special Stream Refinery Properties , I-8-9
Temperature-dependent properties , I-1-4, I-8-13
Temperature-dependent special properties , I-1-5,
I-8-15
User-defined special refinery properties , I-1-4
van der Waals parameters , I-8-12
Component Structural Data for UNIFAC , I-1-5
E
Examples
Component Attributes , I-7-4
Component Definition , I-2-5
Defining TBP Cutpoints , I-6-8
GENERAL Attributes , I-7-3
Particle Size Distribution , I-7-3
Set Characterization Defaults, I-6-9
Solid Component Enthalpy, I-7-4
Supplying Heat of Formation, I-8-21
Supplying Ideal Gas Enthalpy Data , I-8-21
Supplying Molecular Weight, I-8-21
Supplying Properties with Dimensions , I-8-21
Supplying Vapor Pressure Data , I-8-22
N
Non-library Components , I-1-5
Notes Statement , I-1-2, I-1-7
P
Petroleum Component Characterizations , I-1-2, I-6-1
Petroleum Component Properties , I-6-1
Petroleum Components , I-1-6
Most Common Components, I-3-1
Sorted Alphabetically, I-4-1
Sorted by Formula, I-5-1
Pure Component Properties Data for Solids , I-7-3
I-IX-1
S
Solid Attributes , I-1-2
Examples , I-7-3
Pure Component Properties , I-7-2
Solid Attributes , I-7-2
Solid Components, I-1-6
Synfuel Component Definition , I-1-2
Synfuel Components Component Definition , I-6-5
U
UNIFAC Data , I-1-6
Component Structural Data for UNIFAC , I-9-1
Examples , I-9-2
UNIFAC Interaction Groups , I-9-3
IX-2

SIMSCI Component Data Input Manual PDF

Caricato da

Informazioni sul documento

Titolo originale

Copyright

Formati disponibili

Condividi questo documento

Condividi o incorpora il documento

Opzioni di condivisione

Hai trovato utile questo documento?

Questo contenuto è inappropriato?

Copyright:

Formati disponibili

SIMSCI Component Data Input Manual PDF

Caricato da

Copyright:

Formati disponibili

Component and Thermodynamic

Data Input Manual

Component and Thermodynamic

The software described in this guide is furnished under a license

Copyright 2001 Simulation Sciences, Inc. All rights reserved.

PRO/I, PIPEPHASE, NETOPT, and SIMSCI are registered marks

Printed in the United States of America, September 2001.

Component Data Input Manual

Component Data Input Manual

Table 1-1: Component Data Category of Input

Category Heading Statement, Required

Notes Statement, Optional

TEXT = notes line (up to 256 characters)

Component Definition, Conditional

i, library name, library number, alias/...,

i, name, MW, std liq density, NBP/ ...

Petroleum Component Characterizations, Optional

TBPCUTS=to,t1, ncuts {/t2,ncuts/...},

Definition for Synfuel Components, Optional

COMP#, {NAME, MW, DENS}, NBP,

COMP#, NAME, MW, DENS, NBP,

Solid Attributes, Optional

COMP=i, {PSD=s0, s1,...,}

Component Data Overview

Table 1-1: Component Data Category of Input

Component Properties, Optional

Component Data Input Manual

Table 1-1: Component Data Category of Input

Component invariant special properties

User-defined special refinery properties

Component temperature-dependent properties

ENTHALPY(I or L same as above

VISCOSITY(V or L, same as above

Component Data Overview

Table 1-1: Component Data Category of Input

Component temperature-dependent special properties

t1, t2 /i, p1, p2 /...

t1, t2 /i, p1, p2 /...

Component Structural Data for UNIFAC, optional

Note: The SPROP qualifier i is an integer from 1 to 9999. Up to

Component Data Overview

The COMPONENT DATA statement has no entries and is required

Notes Statement (optional)

The NOTES statement in the Component Data Section provides a

This statement must be placed along with the

This entry specifies the actual

An example of information added through the NOTES statement

Refer to Object Annotation Notes in Chapter 3, Input

Component Data Input Manual

Remaining COMPONENT Data Category Statements

Component Definition (conditional - Chapter 2)

Petroleum Component Characterizations (optional - Chapter 6)

Solid Attributes (optional - Chapter 7)

Component Properties (optional - Chapter 8)

Component Structural Data for UNIFAC (optional - Chapter 9)

Component Data Overview

Component Data Input Manual

i, library name, library number, alias/ ...

Note: The BANK keyword, if present, must be given after all

The LIBID statement selects pure component from the component

Components are selected from the SIMSCI (LIBID) component

Simulation component number. If the simulation

SIMSCI library names associated with each