www.myChemE.

com
Antoine Coefficients for almost 700 Components

Antoine Coefficients from "To estimate vapor pressure easily. antoine coefficients relate vapor pressure to
The form of the Antoine Equation used in this spreadsheet is presented below:

Log10 ( P) A

B
T C

Where:
P

- Vapour pressure of the component, mmHg

T
A, B,C

- Temperature, C
- Component specific constants

These Antoine Coefficients should only be used within the temperature range quoted (TMIN and TMAX) in oC. Using this coefficients outside this range will result in errors.
Please note that we do not take any liability for the use of this information. For important calculations, the
user is strongly advised to check the calculated result against experimental data. For further information,
and example calculation, see
myChemE.com/Antoine_Coefficients
ID
440
441
442
436
437
438
439
443
444
445
447
446
448
449
507
508
509
479
510

Formula
C10H14
C10H14
C10H14
C10H14
C10H14
C10H14
C10H14
C10H18
C10H18
C10H18
C10H20
C10H20
C10H20
C10H20O
C10H22
C10H22
C10H22
C10H22
C10H22

Compound Name
1,2,3,4-tetramethylbenzene
1,2,3,5-tetramethylbenzene
1,2,4,5-tetramethylbenzene
butylbenzene
m-diethylbenzene
o-diethylbenzene
p-diethylbenzene
1-decyne
decahydronaphthalene,cis
decahydronaphthalene,trans
1-cyclopentylpentane
1-decene
butylcyclohexane
decanal
2,2,3,3-tetramethylhexane
2,2,3,4-tetramethylhexane
2,2,3,5-tetramethylhexane
2,2,3-trimethylheptane
2,2,4,4-tetramethylhexane

A
7.0594
7.0779
7.08
6.98317
7.0036
6.9878
6.9982
7.1087
6.87529
6.85681
6.9414
6.96034
6.9103
8.20794
6.84438
6.8241
6.87685
6.87507
6.73151

B
1690.54
1675.43
1672.43
1577.965
1575.31
1576.94
1588.31
1606.6
1594.46
1564.683
1540.6
1501.872
1538.518
2378.316
1464.03
1443.6
1417.6
1446.1
1396

C
199.48
201.14
201.43
201.378
200.96
200.51
201.97
206
203.392
206.259
198.8
197.578
200.833
237.905
209.06
207.3
206.3
204.4
208.7

TMIN
80
75
74
62
61
63
63
78
68
61
60
54
59
52
41
41
35
42
35

511
480
512
481
482
457
513
514
483
515
516
484
485
486
458
487
488
489
459
490
460
461
462
523
524
518
451
517
491
492
496
463
493
494
497
464
465
466
519
498
500
502
504
520
521
522
471

C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22

2,2,4,5-tetramethylhexane
2,2,4-trimethylheptane
2,2,5,5-tetramethylhexane
2,2,5-trimethylheptane
2,2,6-trimethylheptane
2,2-dimethyloctane
2,3,3,4-tetramethylhexane
2,3,3,5-tetramethylhexane
2,3,3-trimethylheptane
2,3,4,4-tetramethylhexane
2,3,4,5-tetramethylhexane
2,3,4-trimethylheptane
2,3,5-trimethylheptane
2,3,6-trimethylheptane
2,3-dimethyloctane
2,4,4-trimethylheptane
2,4,5-trimethylheptane
2,4,6-trimethylheptane
2,4-dimethyloctane
2,5,5-trimethylheptane
2,5-dimethyloctane
2,6-dimethyloctane
2,7-dimethyloctane
22334-pentamethylpentane
22344-pentamethylpentane
24dimethyl3isopropylpentane
2-methylnonane
3,3,4,4-tetramethylhexane
3,3,4-trimethylheptane
3,3,5-trimethylheptane
3,3-diethylhexane
3,3-dimethyloctane
3,4,4-trimethylheptane
3,4,5-trimethylheptane
3,4-diethylhexane
3,4-dimethyloctane
3,5-dimethyloctane
3,6-dimethyloctane
33-diethyl-2-methylpentane
3-ethyl-2,2-dimethylhexane
3-ethyl-2,3-dimethylhexane
3-ethyl-2,4-dimethylhexane
3-ethyl-2,5-dimethylhexane
3ethyl-223trimethylpentane
3ethyl-224trimethylpentane
3ethyl-234trimethylpentane
3-ethyl-2-methylheptane

6.83561
6.87525
6.88124
6.87855
6.89454
6.90617
6.84243
6.85043
6.87202
6.8294
6.87156
6.87417
6.8399
6.88668
6.89449
6.86062
6.87583
6.91395
6.92146
6.88204
6.90263
6.93331
6.91326
6.79659
6.73273
6.82154
6.93372
6.81164
6.86861
6.85524
6.88355
6.88895
6.86721
6.87113
6.88347
6.89926
6.89758
6.91284
6.85984
6.86594
6.86128
6.86682
6.87155
6.8071
6.83149
6.81616
6.89294

1400.55
1409.4
1377.98
1417.4
1411.09
1439.6
1474.94
1429.2
1457.8
1457.9
1442.8
1451.7
1440
1433.7
1462.22
1418.4
1437.3
1411.3
1439.8
1429.09
1442.5
1450.53
1444.19
1474.89
1423.83
1432.15
1472.73
1492.7
1466.8
1435.43
1490.9
1457.6
1464.1
1463.4
1473.2
1465.9
1448.8
1456.9
1501.8
1444.4
1475.8
1455.3
1429.3
1490.1
1435.6
1486.62
1457.9

206.26
204.5
207
203.8
202.63
200.7
207.72
206.9
205
207.6
205.3
203.6
203
201.9
200
205.4
203.3
202.3
200.4
204.36
200.2
199.4
198.27
210.6
210.35
206.38
196.38
209.7
205.9
205.49
206.2
202.5
206.2
204.2
204.2
201.4
201.3
200.5
207.7
206.4
206.8
205
204.1
210
208.1
208.32
202.2

34
35
27
37
37
43
45
37
43
42
40
44
44
42
48
37
41
36
43
39
44
45
46
44
38
40
52
47
44
40
47
45
43
45
46
47
44
46
49
40
45
43
39
47
38
47
45

506
474
477
476
455
495
452
467
468
499
501
503
472
505
475
478
456
470
453
469
473
454
450
525
531
526
527
528
529
530
532
435
434
533
534
536
535
537
539
538
540
541
542
547
543
544
545

C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22
C10H22O
C10H22S
C10H22S
C10H22S
C10H22S
C10H22S
C10H22S
C10H22S2
C10H8
C10H8
C11H10
C11H10
C11H16
C11H16
C11H20
C11H22
C11H22
C11H22
C11H24
C11H24O
C11H24S
C11H24S
C11H24S
C11H24S

3-ethyl-3,4-dimethylhexane
3-ethyl-3-methylheptane
3-ethyl-4-methylheptane
3-ethyl-5-methylheptane
3-ethyloctane
3-isopropyl-2-methylhexane
3-methylnonane
4,4-dimethyloctane
4,5-dimethyloctane
4-ethyl-2,2-dimethylhexane
4-ethyl-2,3-dimethylhexane
4-ethyl-2,4-dimethylhexane
4-ethyl-2-methylheptane
4-ethyl-3,3-dimethylhexane
4-ethyl-3-methylheptane
4-ethyl-4-methylheptane
4-ethyloctane
4-isopropylheptane
4-methylnonane
4-propylheptane
5-ethyl-2-methylheptane
5-methylnonane
decane
decyl-alcohol
1-decanethiol
butyl-hexyl-sulfide
ethyl-octyl-sulfide
heptyl-propyl-sulfide
methyl-nonyl-sulfide
pentyl-sulfide
pentyl-disulfide
azulene
naphthalene
1-methylnaphthalene
2-methylnaphthalene
pentamethylbenzene
pentylbenzene
1-undecyne
1-cyclopentylhexane
1-undecene
pentylcyclohexane
undecane
undecyl-alcohol
1-undecanethiol
butyl-heptyl-sulfide
decyl-methyl-sulfide
ethyl-nonyl-sulfide

6.86148 1470.4
207.3
6.88063 1472.9
204.5
6.88827 1466.8
203
6.91593 1455.2
202.4
6.91845 1477.4
199.4
6.76103
1441
204.7
6.92975 1479.1
197.5
6.88891 1446.9
203.5
6.89288 1460.52
201.9
6.89526
1416
206
6.86823
1458
204.7
6.86721 1464.1
206.2
6.892
1438.2
202.3
6.86288 1473.1
207
6.88689 1464.2
203.3
6.88302 1464.9
205.2
6.90922 1466.68 200.44
6.88757 1449.8
202.9
6.92234
1471
198.3
6.9471
1458.7
201.2
6.89424 1448.8
201.3
6.91878 1468.4
198.5
6.96375 1508.75 195.374
6.9224 1472.01 134.16
6.9981
1713.6
177
6.06898 1421.32 205.81
6.06898 1421.32 205.81
6.06898 1421.32 205.81
6.06898 1421.32 205.81
6.06898 1421.32 205.81
6.9581
1756
166.8
6.7868 1733.71 201.85
7.01065 1733.71 201.859
7.03592 1826.948 195.002
7.0685 1840.268 198.395
7.1376
1833.8
198.96
6.97833 1639.91 194.76
7.13064 1687.2
202
6.9548
1608
191.6
6.96662 1562.469 189.743
6.94667 1619.11 194.51
6.9722 1569.57
187.7
6.5271
1250
100
7.0122
1767.4
170.4
5.9321 1421.32 205.81
5.9321 1421.32 205.81
5.9321 1421.32 205.81

44
46
46
44
50
45
52
42
46
34
44
43
42
44
45
44
48
43
50
44
44
50
58
103
109
143
143
143
143
143
128
160
87
108
105
125
80
80
78
72
78
75
120
124
155
155
155

546
548
551
552
553
554
555
556
549
557
558
559
550
561
562
563
564
560
565
568
567
566
569
570
576
571
572
573
574
575
577
578
580
581
582
579
583
584
587
586
585
588
589
594
590
591
592

C11H24S
C12H10
C12H12
C12H12
C12H12
C12H12
C12H12
C12H12
C12H12
C12H12
C12H12
C12H12
C12H12
C12H18
C12H18
C12H18
C12H18
C12H18
C12H22
C12H24
C12H24
C12H24
C12H26
C12H26O
C12H26S
C12H26S
C12H26S
C12H26S
C12H26S
C12H26S
C12H26S2
C13H14
C13H14
C13H14
C13H14
C13H14
C13H20
C13H24
C13H26
C13H26
C13H26
C13H28
C13H28O
C13H28S
C13H28S
C13H28S
C13H28S

octyl-propyl-sulfide
biphenyl
1,2-dimethylnaphthalene
1,3-dimethylnaphthalene
1,4-dimethylnaphthalene
1,5-dimethylnaphthalene
1,6-dimethylnaphthalene
1,7-dimethylnaphthalene
1-ethylnaphthalene
2,3-dimethylnaphthalene
2,6-dimethylnaphthalene
2,7-dimethylnaphthalene
2-ethylnaphthalene
1,2,3-triethylbenzene
1,2,4-triethylbenzene
1,3,5-triethylbenzene
hexamethylbenzene
hexylbenzene
1-dodecyne
1-cyclohexylhexane
1-cyclopentylheptane
1-dodecene
dodecane
dodecyl-alcohol
1-dodecanethiol
butyl-octyl-sulfide
decyl-ethyl-sulfide
hexyl-sulfide
methyl-undecyl-sulfide
nonyl-propyl-sulfide
hexyl-disulfide
1-propylnaphthalene
2ethyl-3-methylnaphthalene
2ethyl-6-methylnaphthalene
2ethyl-7-methylnaphthalene
2-propylnaphthalene
1-phenylheptane
1-tridecyne
1-cyclohexylheptane
1-cyclopentyloctane
1-tridecene
tridecane
1-tridecanol
1-tridecanethiol
butyl-nonyl-sulfide
decyl-propyl-sulfide
dodecyl-methyl-sulfide

5.9321 1421.32 205.81

7.2454 1998.72 202.74
7.00605 1805.31 171.37
7.2698
2076
210
7.2698
2076
210
7.0493
1855
180
7.2698
2076
210
7.0564
1879
180
7.03159 1841.32 185.28
7.0527
1869
180
7.046
1841
180
7.0478
1846
180
7.07566 1880.73 191.41
7.58877 2133.55 235.68
7.57869 2133.558 235.681
7.6044 2133.55 235.68
7.15544 2133.55 235.68
6.9853
1700.5
188.2
7.16929 1771.1
198
6.9555
1681
187.8
6.9743
1672.2
184.4
6.97522 1619.862 182.271
6.99795 1639.27 181.835
7.53986 2003.29 168.13
7.0244
1817.8
164.1
6.629
1408
116.06
5.81251 1421.32 205.81
5.81251 1421.32 205.81
5.81251 1421.32 205.81
5.81251 1421.32 205.81
6.9632
1824.9
153.5
7.0594
1890.8
180
7.02851 1895.5
180
7.09303 1895.5
180
7.09303 1895.5
180
7.0605
1895.5
180
7.0006
1761.2
181.5
7.15674 1834.4
195
6.9743
1743
180.9
6.9896
1729.8
177.3
6.98563 1674.741 175.214
7.00756 1690.67 174.22
7.41181 2003.29 168.13
7.037
1864.9
157.9
5.70756 1421.32 205.81
5.70756 1421.32 205.81
5.70756 1421.32 205.81

155
70
129
148
148
150
148
150
120
155
150
150
118
146
46
145
178
96
113
94
95
89
91
138
138
134
166
166
166
166
153
155
196
192
192
160
112
120
111
112
105
107
202
151
177
177
177

593
595
596
598
599
600
597
601
604
603
602
605
606
612
607
608
609
610
611
613
614
615
616
617
620
619
618
621
622
627
623
624
625
626
628
629
630
633
632
631
634
635
641
636
637
638
639

C13H28S
C14H16
C14H16
C14H22
C14H22
C14H22
C14H22
C14H26
C14H28
C14H28
C14H28
C14H30
C14H30O
C14H30S
C14H30S
C14H30S
C14H30S
C14H30S
C14H30S
C14H30S2
C15H18
C15H18
C15H24
C15H28
C15H30
C15H30
C15H30
C15H32
C15H32O
C15H32S
C15H32S
C15H32S
C15H32S
C15H32S
C16H26
C16H26
C16H30
C16H32
C16H32
C16H32
C16H34
C16H34O
C16H34S
C16H34S
C16H34S
C16H34S
C16H34S

ethyl-undecyl-sulfide
1-butylnaphthalene
2-butylnaphthalene
1,2,3,4-tetraethylbenzene
1,2,3,5-tetraethylbenzene
1,2,4,5-tetraethylbenzene
1-phenyloctane
1-tetradecyne
1-cyclohexyloctane
1-cyclopentylnonane
1-tetradecene
tetradecane
1-tetradecanol
1-tetradecanethiol
butyl-decyl-sulfide
dodecyl-ethyl-sulfide
heptyl-sulfide
methyl-tridecyl-sulfide
propyl-undecyl-sulfide
heptyl-disulfide
1-pentylnaphthalene
2-pentylnaphthalene
1-phenylnonane
1-pentadecyne
1-cyclohexylnonane
1-cyclopentyldecane
1-pentadecene
pentadecane
1-pentadecanol
1-pentadecanethiol
butyl-undecyl-sulfide
dodecyl-propyl-sulfide
ethyl-tridecyl-sulfide
methyl-tetradecyl-sulfide
1-phenyldecane
pentaethylbenzene
1-hexadecyne
1-cyclohexyldecane
1-cyclopentylundecane
1-hexadecene
hexadecane
1-hexadecanol
1-hexadecanethiol
butyl-dodecyl-sulfide
ethyl-tetradecyl-sulfide
methyl-pentadecyl-sulfide
octyl-sulfide

5.70756
4.9631
6.6117
7.65632
7.63235
7.63723
7.0086
7.23227
6.9897
6.996
7.02005
7.013
6.6741
7.0485
5.61512
5.61512
5.61512
5.61512
5.61512
6.9602
7.0743
7.06
7.0245
7.20553
7.0006
7.00349
7.01555
7.02359
6.23737
7.0612
5.53347
5.53347
5.53347
5.53347
7.03642
8.29495
7.47511
7.01852
7.02
7.04437
7.02867
6.1586
7.075
5.46123
5.46123
5.46123
5.46123

1421.32
656.8
1591.4
2312.864
2312.86
2312.86
1812.2
1927.7
1799.3
1779
1745.001
1740.88
1204.5
1909.2
1421.32
1421.32
1421.32
1421.32
1421.32
1878.6
2000
2005.9
1862.6
1972.07
1850.2
1825.748
1781.974
1789.95
1204.5
1951
1421.32
1421.32
1421.32
1421.32
1904.132
2972.77
2154.7
1899.242
1869.2
1843.581
1830.51
1380
1990
1421.32
1421.32
1421.32
1421.32

205.81
26
138.5
236.261
236.26
236.26
174.6
191
174.3
170.2
170.475
167.72
54
151.9
205.81
205.81
205.81
205.81
205.81
139.8
170
170
167.5
188
167.6
163.479
162.582
161.38
54
146
205.81
205.81
205.81
205.81
160.318
272.052
185
161.348
156
157.917
154.45
91
140
205.81
205.81
205.81
205.81

177
139
145
66
174
174
127
145
126
126
119
122
130
164
187
187
187
187
187
175
185
190
142
140
141
141
134
136
230
176
196
196
196
196
155
86
172
154
154
147
149
145
188
204
204
204
204

640
642
643
644
647
646
645
648
649
654
650
651
652
653
655
656
657
660
659
658
661
662
668
663
664
665
666
667
669
670
671
674
673
672
675
676
681
677
678
679
680
682
683
686
685
684
687

C16H34S
C16H34S2
C17H28
C17H32
C17H34
C17H34
C17H34
C17H36
C17H36O
C17H36S
C17H36S
C17H36S
C17H36S
C17H36S
C18H30
C18H30
C18H34
C18H36
C18H36
C18H36
C18H38
C18H38O
C18H38S
C18H38S
C18H38S
C18H38S
C18H38S
C18H38S
C18H38S2
C19H32
C19H36
C19H38
C19H38
C19H38
C19H40
C19H40O
C19H40S
C19H40S
C19H40S
C19H40S
C19H40S
C20H34
C20H38
C20H40
C20H40
C20H40
C20H42

propyl-tridecyl-sulfide
octyl-disulfide
1-phenylundecane
1-heptadecyne
1-cyclohexylundecane
1-cyclopentyldodecane
1-heptadecene
heptadecane
1-heptadecanol
1-heptadecanethiol
butyl-tridecyl-sulfide
ethyl-pentadecyl-sulfide
hexadecyl-methyl-sulfide
propyl-tetradecyl-sulfide
1-phenyldodecane
hexaethylbenzene
1-octadecyne
1-cyclohexyldodecane
1-cycopentyltridecane
1-octadecene
octadecane
1-octadecanol
1-octadecanethiol
butyl-tetradecyl-sulfide
ethyl-hexadecyl-sulfide
heptadecyl-methyl-sulfide
nonyl-sulfide
pentadecyl-propyl-sulfide
nonyl-disulfide
1-phenyltridecane
1-nonadecyne
1-cyclohexyltridecane
1-cyclopentyltetradecane
1-nonadecene
nonadecane
1-nonadecanol
1-nonadecanethiol
butyl-pentadecyl-sulfide
ethyl-heptadecyl-sulfide
hexadecyl-propyl-sulfide
methyl-octadecyl-sulfide
1-phenyltetradecane
1-eicosyne
1-cyclohexyltetradecane
1-cyclopentylpentadecane
1-eicosene
eicosane

5.46123 1421.32 205.81

6.9579
1935.6
129
7.0509
1944.1
153
7.48829 2216.2
182
7.029
1939.7
154.5
7.0319
1909.1
149
7.03925 1877.91 151.53
7.0143
1865.1
149.2
6.782
1595
85.06
7.081
2027
135
5.39727 1421.32 205.81
5.39727 1421.32 205.81
5.39727 1421.32 205.81
5.39727 1421.32 205.81
7.0693
1981.6
145.5
7.50288 2360.733 212.652
7.50787 2281.1
180
7.0362
1976.7
148
7.0473
1947
141.9
7.04518 1917.9
145.9
7.0022
1894.3
143.3
6.814
1632
80.06
7.096
2061
129
5.3364 1421.32 205.81
5.3364 1421.32 205.81
5.3364 1421.32 205.81
5.3364 1421.32 205.81
5.3364 1421.32 205.81
6.9605
1981.5
117
7.0843
2013.9
137.9
7.51711 2336.7
177
7.0469
2012.2
141.5
7.063
1982
135
7.0571
1961.6
141.2
7.0153
1932.8
137.6
6.60769
1632
80.06
7.105
2094
124
5.28246 1421.32 205.81
5.28246 1421.32 205.81
5.28246 1421.32 205.81
5.28246 1421.32 205.81
7.101
2042
130
7.52336 2386.3
174
7.061
2046
135
7.083
2016
128
7.0577
1995.3
136
7.1522
2032.7
132.1

204
196
168
184
167
168
159
161
191
198
212
212
212
212
181
134
196
179
180
171
172
201
209
220
220
220
220
220
215
193
208
191
192
183
184
274
219
227
227
227
227
205
219
203
203
193
198

688
694
689
690
691
692
693
695
696
698
697
699
700
36
35
33
34
37
38
39
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
67
66
68
69
70

C20H42O
C20H42S
C20H42S
C20H42S
C20H42S
C20H42S
C20H42S
C20H42S2
C21H36
C21H42
C21H42
C22H38
C22H44
C2CL2F4
C2CL3F3
C2CL4
C2CL6
C2CLF5
C2F4
C2F6
C2H2
C2H2CL2
C2H2CL2
C2H2CL2
C2H2CL4
C2H2F2
C2H2F2
C2H2F2
C2H2O
C2H3BR
C2H3CL
C2H3CL3
C2H3CLO
C2H3F
C2H3F3
C2H3N
C2H4
C2H4BR2
C2H4CL2
C2H4CL2
C2H4F2
C2H4I2
C2H4O
C2H4O
C2H4O2
C2H4O2
C2H4OS

1-eicosanol
1-eicosanethiol
butyl-hexadecyl-sulfide
decyl-sulfide
ethyl-octadecyl-sulfide
heptadecyl-propyl-sulfide
methyl-nonadecyl-sulfide
decyl-disulfide
1-phenylpentadecane
1-cyclohexylpentadecane
1-cyclopentylhexadecane
1-phenylhexadecane
1-cyclohexylhexadecane
12dichlorotetrafluoroethane
112trichlorotrifluoroethane
tetrachloroethene
hexachloroethane
chloropentafluoroethane
tetrafluoroethene
hexafluoroethane
acetylene(ethyne)
1,1-dichloroethene
cis-1,2-dichloroethene
trans-1,2-dichloroethene
1,1,2,2-tetrachloroethane
1,1-difluoroethene
cis-1,2-difluoroethene
trans-1,2-difluoroethene
ketene
bromoethylene
chloroethene
1,1,2-trichloroethane
acetyl-chloride
fluoroethene
1,1,1-trifluoroethane
acetonitrile
ethylene
1,2-dibromoethane
1,1-dichloroethane
1,2-dichloroethane
1,1-difluoroethane
1,2-diiodoethane
acetaldehyde
ethylene-oxide
acetic-acid
methyl-formate
thioacetic-acid

6.872
1699
70.06
7.114
2125
119
5.23473 1421.32 205.81
5.23473 1421.32 205.81
5.23473 1421.32 205.81
5.23473 1421.32 205.81
5.23473 1421.32 205.81
6.972
2019
103.1
7.114
2067
122
7.072
2078
129
7.103
2048
121
7.14
2095
114
7.074
2099
122
6.87084 942.336 232.632
6.8803
1099.9
227.5
7.02
1415.49 221.01
7.08633 1626.945 197.048
6.8333
802.97
242.28
6.8966
683.84
245.94
6.7933
657.06
246.22
9.1402
1232.6
280.9
6.9722
1099.4
237.2
7.0223
1205.4
230.6
6.9651
1141.9
231.9
6.6317
1228.1
179.9
6.34918 491.359 227.239
5.31401 491.359 227.23
5.31401 491.359 227.23
6.9573
803.1
238.01
7.24379 1219.308 264.021
6.4971
783.4
230.01
6.9653
1351
217
6.8407 1062.86 217.63
6.33949 593.551 243.111
6.9038
788.21
243.24
7.0735
1279.2
224.01
6.74756
585
255
6.72148 1280.82 201.75
6.9853 1171.42 228.13
7.0253 1271.25 222.94
7.03
910
244
6.98834 1647.1
201
7.0565
1070.6
236.01
7.2701
1115.1
244.15
7.2996 1479.02 216.82
7.1704
1125.2
230.56
7.74889 1479.02 216.82

219
229
233
233
233
233
233
235
216
213
215
227
224
-95
-25
34
33
-98
-133
-103
-129
-28
0
-38
25
-140
-78
-78
-103
-88
-88
29
-36
-149
-3
-13
-153
52
-31
-33
-35
98
-63
-73
17
-48
40

71
72
73
74
75
76
77
78
79
81
80
82
84
83
85
87
86
41
42
43
40
88
89
90
91
92
93
94
95
96
98
97
99
100
101
102
103
107
105
106
104
108
109
110
111
112
113

C2H4S
C2H5BR
C2H5CL
C2H5F
C2H5I
C2H5N
C2H5NO2
C2H5NO3
C2H6
C2H6O
C2H6O
C2H6O2
C2H6S
C2H6S
C2H6S2
C2H7N
C2H7N
C2HCL3
C2HCL5
C2HF3
C2N2
C3H3N
C3H4
C3H4
C3H4O2
C3H5BR
C3H5CL
C3H5CL3
C3H5I
C3H5N
C3H6
C3H6
C3H6BR2
C3H6CL2
C3H6CL2
C3H6CL2
C3H6I2
C3H6O
C3H6O
C3H6O
C3H6O
C3H6S
C3H7BR
C3H7BR
C3H7CL
C3H7CL
C3H7F

thiacyclopropane
bromoethane
chloroethane
fluoroethane
iodoethane
ethylenimine
nitroethane
ethyl-nitrate
ethane
ethyl-alcohol
methyl-ether
ethylene-glycol
ethanethiol
methyl-sulfide
methyl-disulfide
dimethylamine
ethylamine
trichloroethene
pentachloroethane
trifluoroethene
cyanogen
acrylonitrile
allene(propadiene)
propyne(methylacetylene)
acrylic-acid
3-bromo-1-propene
3-chloro-1-propene
1,2,3-trichloropropane
3-iodo-1-propene
propionitrile
cyclopropane
propene
1,2-dibromopropane
1,2-dichloropropane
1,3-dichloropropane
2,2-dichloropropane
1,2-diiodopropane
acetone
allyl-alcohol
propionaldehyde
propylene-oxide
thiacyclobutane
1-bromopropane
2-bromopropane
1-chloropropane
2-chloropropane
1-fluoropropane

7.03725
6.92
6.94
6.9785
6.959
7.1323
7.58777
7.1637
6.83452
8.2133
7.3164
8.7945
6.95206
6.94879
6.97792
7.0639
7.3862
7.0281
6.74
5.68715
6.43629
6.9163
5.7137
6.78485
7.1926
7.05187
6.9388
7.0028
6.9693
6.9301
6.8879
6.8196
6.89105
6.9654
6.97186
6.9482
6.0765
7.2316
7.3424
7.0493
6.6546
7.01667
7.03766
7.00463
6.9311
6.9654
6.9533

1194.37
1090.81
1012.78
854.21
1232
1133.7
1671.266
1338.8
663.7
1652.05
1025.56
2615.4
1084.531
1090.755
1346.342
1024.4
1137.3
1315.1
1378
491.359
576.579
1208.3
458.06
803.73
1441.5
1259.83
1099.6
1484.1
1316.5
1277.2
856.01
785
1419.6
1296.4
1376.2
1201.1
1507.41
1277.03
1271.7
1154.8
915.31
1321.331
1259.836
1223.475
1121.12
1081.6
965.18

232.42
231.72
236.68
246.16
229
210.01
241.187
224.9
256.47
231.48
256.06
244.91
231.385
230.799
218.863
238.01
235.86
230.01
197
227.23
182.308
222.01
196.07
229.08
193.01
232.04
226.01
204.01
220
218.01
246.51
247
212
221
216
226
244.7
237.23
188.01
229.01
208.29
224.513
232.042
236.508
230.21
230.01
239.5

-35
-47
-73
-103
30
-25
-21
0
-143
-3
-94
91
-49
-47
6
-55
-58
-13
25
-93
-77
-18
-99
-90
42
17
-43
42
20
-3
-93
-112
50
15
34
-6
125
-32
13
-38
-48
-5
-53
-62
-43
-48
-70

114
115
116
117
118
120
119
121
122
124
123
126
127
125
128
129
130
168
167
172
169
171
170
173
174
178
179
180
181
175
176
177
182
183
186
184
185
131
132
133
134
135
136
137
138
139
140

C3H7F
C3H7I
C3H7I
C3H7NO2
C3H7NO2
C3H7NO3
C3H7NO3
C3H8
C3H8O
C3H8O
C3H8O
C3H8S
C3H8S
C3H8S
C3H9N
C3H9N
C4F8
C4H10
C4H10
C4H10O
C4H10O
C4H10O
C4H10O
C4H10O
C4H10O
C4H10S
C4H10S
C4H10S
C4H10S
C4H10S
C4H10S
C4H10S
C4H10S2
C4H11N
C4H11N
C4H11N
C4H11N
C4H2
C4H4
C4H4O
C4H4S
C4H6
C4H6
C4H6
C4H6
C4H6
C4H6O3

2-fluoropropane
1-iodopropane
2-iodopropane
1-nitropropane
2-nitropropane
isopropyl-nitrate
propyl-nitrate
propane
ethyl-methyl-ether
isopropyl-alcohol
propyl-alcohol
1-propanethiol
2-propanethiol
ethyl-methyl-sulfide
propylamine
trimethylamine
octafluorocyclobutane
2-methylpropane(isobutane)
butane
butyl-alcohol
ethyl-ether
methyl-isopropyl-ether
methyl-propyl-ether
sec-butyl-alcohol
tert-butyl-alcohol
1-butanethiol
2-butanethiol
2-methyl-1-propanethiol
2-methyl-2-propanethiol
ethylsulfide
isopropyl-methyl-sulfide
methyl-propyl-sulfide
ethyl-disulfide
butylamine
diethylamine
sec-butylamine
tert-butylamine
butadiyne(biacetylene)
1buten3yne(vinylacetylene)
furan
thiophene
1,2-butadiene
1,3-butadiene
1-butyne(ethylacetylene)
2-butyne(dimethylacetylene)
cyclobutene
acetic-anhydride

7.07451
7.22121
7.0167
7.1146
7.48654
6.42006
7.73719
6.80398
5.8819
8.1182
7.6192
6.92846
6.87734
6.93849
6.9468
6.9704
6.8153
6.91048
6.80896
7.4768
6.92032
6.24495
6.1186
7.4743
7.3199
6.92754
6.88698
6.88746
6.78781
6.92836
6.90196
6.95545
6.97507
7.213
6.9724
7.15069
6.78309
5.51917
6.953
6.9753
6.95926
6.99383
6.84999
6.98198
7.07338
6.95769
7.1216

965.18
1507.41
1340.448
1467.45
1664.036
1018.568
1721.723
803.81
504.49
1580.92
1375.14
1183.307
1113.895
1182.562
1108.2
968.7
862.49
946.35
935.86
1362.39
1064.07
708.69
708.69
1314.19
1154.48
1281.018
1229.904
1237.282
1115.565
1257.833
1232.17
1284.32
1485.97
1308.4
1127
1238.3
993.262
460.684
957
1060.85
1246.02
1041.117
930.546
988.75
1101.71
1009.32
1427.77

239.5
244.701
234.365
215.23
240.995
183.528
245.49
246.99
160.76
219.62
193.01
224.624
226.157
224.784
224.01
234.01
225.15
246.68
238.73
178.73
228.8
179.9
179.9
186.51
177.66
218.1
222.021
220.313
221.314
218.662
221.67
219.66
208.958
224.2
220.01
227
210.493
164.594
230.01
227.75
221.35
242.274
238.854
233.01
235.81
244.986
198.05

-49
-36
-43
59
-19
0
0
-108
-68
0
12
-25
-37
-26
-38
-58
-32
-87
-78
15
-61
-12
0
25
20
-2
-13
-10
1
-6
-13
-4
40
-14
-31
-9
19
-78
-73
-35
-12
-26
-58
-68
-30
-77
35

141
142
143
144
145
146
147
148
149
150
152
151
154
153
155
156
158
157
161
159
162
160
163
164
165
166
202
205
207
203
204
206
208
209
211
210
213
212
214
216
215
217
220
219
218
221
222

C4H7N
butyronitrile
C4H7N
isobutyronitrile
C4H8
1-butene
C4H8
2-butene,cis
C4H8
2-butene,trans
C4H8
2-methylpropene
C4H8
cyclobutane
C4H8BR2 1,2-dibromobutane
C4H8BR2 2,3-dibromobutane
C4H8I2
1,2-diiodobutane
C4H8O
2-butanone
C4H8O
butyraldehyde
C4H8O2 ethyl-acetate
C4H8O2 p-dioxane
C4H8S
thiacyclopentane
C4H9BR 1-bromobutane
C4H9BR 2-bromo-2-methylpropane
C4H9BR 2-bromobutane
C4H9CL 1-chloro-2-methylpropane
C4H9CL 1-chlorobutane
C4H9CL 2-chloro-2-methylpropane
C4H9CL 2-chlorobutane
C4H9I
2-iodo-2-methylpropane
C4H9N
pyrrolidine
C4H9NO2 1-nitrobutane
C4H9NO2 2-nitrobutane
C5H10
1-pentene
C5H10
2-methyl-1-butene
C5H10
2-methyl-2-butene
C5H10
2-pentene,cis
C5H10
2-pentene,trans
C5H10
3-methyl-1-butene
C5H10
cyclopentane
C5H10BR2 2,3-dibromo-2-methylbutane
C5H10O 2-pentanone
C5H10O valeraldehyde
C5H10S cyclopentanethiol
C5H10S thiacyclohexane
C5H11BR 1-bromopentane
C5H11CL 1-chloro-3-methylbutane
C5H11CL 1-chloropentane
C5H11CL 2-chloro-2-methylbutane
C5H12
2,2-dimethypropane
C5H12
2-methylbutane(isopentane)
C5H12
pentane
C5H12O methyl-tert-butyl-ether
C5H12O pentyl-alcohol

7.0396
7.21591
6.8429
6.86926
6.86952
6.84134
6.9163
7.25696
7.20023
6.2433
7.2087
7.0212
7.0146
7.0063
6.9954
6.92254
6.6685
6.82724
6.95304
6.9379
6.8671
6.9447
7.2539
6.9246
6.86715
7.25197
6.8465
6.87314
6.91562
6.87274
6.90575
6.82618
6.88676
7.36735
6.95
7.0192
6.91497
6.90518
6.9558
6.79527
6.96617
6.95902
6.60427
6.83315
6.87632
5.896
7.1776

1390.7
1390.7
926.1
960.1
960.8
923.2
1024.54
1759.076
1691.481
1507.41
1368.21
1233
1211.9
1288.5
1401.939
1298.608
1129.7
1229.08
1205.079
1227.43
1114.9
1195.8
1507.41
1179.99
1467.45
1664.03
1044.895
1053.78
1095.088
1067.951
1083.987
1013.474
1124.162
1695.9
1274.6
1316
1388.63
1422.47
1401.634
1258.5
1332.89
1258.5
883.42
1040.73
1075.78
708.69
1314.56

217
217
240
237
240
240
241.38
235.009
230.223
244.7
236.51
223.01
216.01
211.01
219.607
219.7
225
220
227.046
224.11
229.01
226.01
244.7
205.26
215.23
240.99
233.516
232.788
232.842
230.585
232.965
236.816
231.361
207
210.91
215.01
212.05
211.72
214.38
223
218.5
223
227.782
235.445
233.205
179.9
168.16

34
49
-81
-73
-76
-82
-73
8
5
110
-16
-18
-13
2
14
19
-7
10
-54
-18
-38
-23
42
27
86
75
-55
-53
-48
-49
-49
-63
-40
81
2
4
81
29
41
39
24
7
-13
-57
-50
2
37

223
227
226
224
225
187
188
189
190
191
192
193
197
194
196
198
195
199
200
201
228
229
246
248
249
250
247
251
252
266
268
265
253
254
257
260
267
255
256
258
261
262
259
263
264
269
270

C5H12O
C5H12S
C5H12S
C5H12S
C5H12S
C5H5N
C5H6S
C5H6S
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C6CL6
C6F6
C6H10
C6H10
C6H10
C6H10
C6H10
C6H10O
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12

tert-pentyl-alcohol
1-pentanethiol
2-methyl-2-butanethiol
butyl-methyl-sulfide
ethyl-propyl-sulfide
pyridine
2-methylthiophene
3-methylthiophene
1,2-pentadiene
1,3-pentadiene,cis
1,3-pentadiene,trans
1,4-pentadiene
1-pentyne
2,3-pentadiene
2-methyl-1,3-butadiene
2-pentyne
3-methyl-1,2-butadiene
3-methyl-1-butyne
cyclopentene
spiropentane
hexachlorobenzene
hexafluorobenzene
1-hexyne
1-methylcyclopentene
3-methylcyclopentene
4-methylcyclopentene
cyclohexene
cyclohexanone
1-hexene
2,3-dimethyl-1-butene
2,3-dimethyl-2-butene
2-ethyl-1-butene
2-hexene,cis
2-hexene,trans
2-methyl-1-pentene
2-methyl-2-pentene
3,3-dimethyl-1-butene
3-hexene,cis
3-hexene,trans
3-methyl-1-pentene
3-methyl-2-pentene,cis
3-methyl-2-pentene,trans
4-methyl-1-pentene
4-methyl-2-pentene,cis
4-methyl-2-pentene,trans
cyclohexane
methylcyclopentane

7.8753
6.93311
6.82837
6.94583
6.9338
6.9882
6.93897
6.98611
6.9182
6.91089
6.91317
6.83543
6.9673
6.96216
6.88564
7.04614
6.9435
6.8848
6.9207
6.917
9.78602
7.033
6.91212
6.86884
6.87259
6.87015
6.8724
6.97851
6.86572
6.86236
6.95058
6.99712
7.03805
6.89342
6.8503
6.92367
6.67751
6.87854
6.9178
6.75523
6.91073
6.92634
6.83529
6.84129
6.8803
6.8413
6.86283

1604.7
1369.479
1254.885
1363.808
1341.57
1344.2
1326.48
1363.84
1104.991
1101.923
1103.84
1017.995
1092.52
1126.837
1071.578
1189.87
1103.901
1014.81
1121.81
1090.08
4597.57
1227.98
1194.6
1199.6
1165.6
1197.6
1221.9
1495.58
1152.971
1134.675
1215.428
1218.352
1258.571
1173.343
1138.516
1183.837
1010.516
1164.134
1180.707
1086.316
1186.402
1194.527
1121.302
1120.707
1142.874
1201.531
1186.059

208.16
211.314
218.759
212.074
212.51
212.01
214.31
216.78
228.851
229.367
231.724
231.461
227.19
227.841
233.513
229.6
230.89
227.11
233.46
231.1
355.961
215.5
225
225
227
225
223.18
209.559
225.849
229.367
225.443
231.3
233.851
224.53
224.704
225.514
224.909
224.749
225.384
226.204
226.696
224.833
229.687
226.586
227.143
222.647
226.042

55
20
-3
17
14
12
9
11
-20
-17
-16
-33
-43
-13
-18
-33
-20
-55
-29
3
114
-3
-8
-5
-10
-2
27
90
-29
-36
-21
-28
-25
-25
-30
-26
-47
-27
-26
-37
-26
-23
-38
-35
-33
6
-24

271
272
273
277
278
275
276
274
281
280
279
286
282
283
284
285
287
288
231
230
232
233
234
235
236
237
238
239
240
241
242
243
244
245
298
302
299
303
305
300
301
307
304
306
308
317
313

C6H12O
C6H12O
C6H12S
C6H14
C6H14
C6H14
C6H14
C6H14
C6H14O
C6H14O
C6H14O
C6H14S
C6H14S
C6H14S
C6H14S
C6H14S
C6H14S2
C6H15N
C6H4CL2
C6H4CL2
C6H4CL2
C6H4F2
C6H4F2
C6H4F2
C6H5BR
C6H5CL
C6H5F
C6H5I
C6H6
C6H6O
C6H6S
C6H7N
C6H7N
C6H7N
C7H12
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14O
C7H16
C7H16

cyclohexanol
hexanal
thiacycloheptane
2,2-dimethylbutane
2,3-dimethylbutane
2-methylpentane
3-methylpentane
hexane
hexyl-alcohol
isopropyl-ether
propyl-ether
1-hexanethiol
butyl-ethyl-sulfide
isopropyl-sulfide
methyl-pentyl-sulfide
propyl-sulfide
propyl-disulfide
triethylamine
m-dichlorobenzene
o-dichlorobenzene
p-dichlorobenzene
m-difluorobenzene
o-difluorobenzene
p-difluorobenzene
bromobenzene
chlorobenzene
fluorobenzene
iodobenzene
benzene
phenol
benzenethiol
2-picoline
3-picoline
aniline
1-heptyne
1,1-dimethylcyclopentane
1-heptene
c-1,2-dimethylcyclopentane
c-1,3-dimethylcyclopentane
cycloheptane
ethylcyclopentane
methylcyclohexane
t-1,2-dimethylcyclopentane
t-1,3-dimethylcyclopentane
heptanal
2,2,3-trimethylbutane
2,2-dimethylpentane

6.2553
6.71442
6.90523
6.75483
6.80983
6.8391
6.81887
6.87024
7.8604
7.0971
6.9476
6.94664
6.94102
6.87118
7.11609
6.93577
6.97529
6.8989
7.3037
7.0703
6.998
7.06582
7.02031
7.08812
6.8606
6.9781
7.187
7.0119
6.90565
7.1345
6.99019
7.0324
7.0502
7.2418
6.68593
6.81724
6.90069
6.85008
6.83715
6.8539
6.88709
6.823
6.84422
6.83817
5.47587
6.7923
6.8148

912.87
1316
1422.47
1081.176
1127.187
1135.41
1152.368
1168.72
1761.26
1257.6
1256.5
1454.004
1421.32
1327.12
1413.44
1413.44
1603.793
1251.8
1782.4
1649.55
1575.11
1310.27
1310.271
1310.27
1438.82
1431.05
1381.83
1640.13
1211.033
1516.07
1529.454
1415.73
1481.77
1675.3
1216.6
1219.474
1257.505
1269.14
1237.456
1331.57
1298.599
1270.763
1242.748
1240.023
686.453
1200.563
1190.033

109.13
215.01
211.72
229.343
228.9
226.572
227.129
224.21
196.67
230.01
219
204.954
205.81
212.55
205.73
205.73
195.848
222.01
230.01
213.32
208.52
222.58
222.587
222.58
205.45
217.56
235.57
208.78
220.79
174.57
203.048
211.58
211.21
200.01
220
221.946
219.179
220.209
222.005
216.36
220.675
221.416
221.686
221.621
111.817
226.05
223.303

94
64
78
-41
-35
-32
-29
-25
35
-24
26
40
33
13
70
32
73
-13
53
58
54
36
31
34
47
47
-23
17
-16
72
52
79
74
67
14
-12
-6
-3
-10
57
-3
-3
-9
-9
12
-19
-19

314
315
310
316
312
311
309
319
318
323
320
321
322
289
290
291
292
294
293
295
296
297
327
328
329
330
331
336
332
337
339
341
333
335
334
338
340
342
343
361
357
358
349
359
360
350
351

C7H16
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16O
C7H16O
C7H16S
C7H16S
C7H16S
C7H16S
C7H5F3
C7H5N
C7H6O2
C7H7F
C7H8
C7H8
C7H8O
C7H8O
C7H8O
C8H10
C8H10
C8H10
C8H10
C8H14
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16
C8H16O
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18

2,3-dimethylpentane
2,4-dimethylpentane
2-methylhexane
3,3-dimethylpentane
3-ethylpentane
3-methylhexane
heptane
heptyl-alcohol
isopropyl-tert-butyl-ether
1-heptanethiol
butyl-propyl-sulfide
ethyl-pentyl-sulfide
hexyl-methyl-sulfide
a,a,a-trifluorotoluene
benzonitrile
benzoic-acid
p-fluorotoluene
1,3,5-cycloheptatriene
toluene
m-cresol
o-cresol
p-cresol
ethylbenzene
m-xylene
o-xylene
p-xylene
1-octyne
1,1-dimethylcyclohexane
1-octene
c-1,2-dimethylcyclohexane
c-1,3-dimethylcyclohexane
c-1,4-dimethylcyclohexane
cyclooctane
ethylcyclohexane
propylcyclopentane
t-1,2-dimethylcyclohexane
t-1,3-dimethylcyclohexane
t-1,4-dimethylcyclohexane
octanal
2,2,3,3-tetramethylbutane
2,2,3-trimethylpentane
2,2,4-trimethylpentane
2,2-dimethylhexane
2,3,3-trimethylpentane
2,3,4-trimethylpentane
2,3-dimethylhexane
2,4-dimethylhexane

6.85382
6.82621
6.87318
6.82667
6.87564
6.86764
6.89385
6.6476
6.62913
6.95249
6.65279
6.65279
6.65279
6.97045
7.72911
7.454
6.99426
6.97433
6.95464
7.508
6.9117
7.0351
6.95719
7.00908
6.99891
6.99052
7.02447
6.79821
6.93263
6.83746
6.83883
6.83287
6.8619
6.86728
6.90392
6.83308
6.83455
6.81773
12.51168
6.87665
6.82546
6.81189
6.83715
6.84353
6.85396
6.87004
6.85305

1238.017
1192.041
1236.026
1228.663
1251.827
1240.196
1264.37
1140.64
1257.6
1525.311
1421.32
1421.32
1421.32
1306.35
2110.572
1820
1374.055
1376.84
1344.8
1856.36
1435.5
1511.08
1424.255
1462.266
1474.679
1453.43
1413.8
1321.705
1353.486
1367.311
1338.473
1345.613
1437.78
1382.466
1384.386
1353.881
1343.687
1330.437
3977.531
1329.93
1294.875
1257.84
1273.594
1328.046
1315.084
1315.503
1287.876

221.823
221.634
219.545
225.316
219.887
219.223
216.636
126.56
230.01
197.696
205.81
205.81
205.81
217.38
244.819
147.96
217.4
220.75
219.482
199.07
165.16
161.86
213.206
215.105
213.686
215.307
215
217.845
212.764
215.835
218.072
216.154
209.98
214.995
213.159
219.132
215.394
218.581
244.532
226.36
218.42
220.735
215.072
220.375
217.526
214.157
214.79

-10
-17
-9
-14
-7
-8
-2
60
41
59
99
99
99
55
28
132
68
0
6
97
97
97
26
28
32
27
25
10
15
18
11
15
94
21
21
13
15
10
73
103
4
-4
3
7
7
10
5

352
345
353
354
355
356
348
346
347
344
362
365
363
364
370
366
367
368
369
371
324
326
325
372
375
376
377
373
374
383
384
379
385
380
381
382
378
386
387
388
390
391
389
392
424
425
412

C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18O
C8H18O
C8H18O
C8H18O
C8H18S
C8H18S
C8H18S
C8H18S
C8H18S
C8H18S2
C8H6
C8H8
C8H8
C9H10
C9H10
C9H10
C9H10
C9H10
C9H10
C9H12
C9H12
C9H12
C9H12
C9H12
C9H12
C9H12
C9H12
C9H16
C9H18
C9H18
C9H18
C9H18
C9H18
C9H18O
C9H20
C9H20
C9H20

2,5-dimethylhexane
2-methylheptane
3,3-dimethylhexane
3,4-dimethylhexane
3-ethyl-2-methylpentane
3-ethyl-3-methylpentane
3-ethylhexane
3-methylheptane
4-methylheptane
octane
butyl-ether
octyl-alcohol
sec-butyl-ether
tert-butyl-ether
1-octanethiol
butyl-sulfide
ethyl-hexyl-sulfide
heptyl-methyl-sulfide
pentyl-propyl-sulfide
butyl-disulfide
ethynylbenzene
1,3,5,7-cyclooctatetraene
styrene
alpha-methylstyrene
m-methylstyrene
o-methylstyrene
p-methylstyrene
propenylbenzene,cis
propenylbenzene,trans
1,2,3-trimethylbenzene
1,2,4-trimethylbenzene
cumene
mesitylene
m-ethyltoluene
o-ethyltoluene
p-ethyltoluene
propylbenzene
1-nonyne
1-nonene
butylcyclopentane
c-c-135trimethylcyclohexane
c-t-135trimethylcyclohexane
propylcyclohexane
nonanal
2,2,3,3-tetramethylpentane
2,2,3,4-tetramethylpentane
2,2,3-trimethylhexane

6.85984
6.91735
6.85121
6.87986
6.86358
6.86731
6.89098
6.89944
6.90065
6.9094
6.9825
6.837
6.79153
6.93294
6.96909
6.54589
6.42693
6.42693
6.42693
6.9638
6.957
7.00669
6.9571
7.0924
6.87928
6.88461
7.0112
7.44961
7.54993
7.04082
7.04383
6.93666
7.07436
7.01582
7.00314
6.99802
6.95142
6.7741
6.95387
6.89935
7.09743
7.07274
6.88646
7.81505
6.82876
6.83173
6.86574

1287.274
1337.468
1307.882
1330.035
1318.12
1347.209
1327.884
1331.53
1327.661
1349.82
1431.5
1310.62
1348.53
1348.533
1593
1421.32
1421.32
1421.32
1421.32
1684.1
1445.58
1472.11
1445.58
1582.7
1471.44
1485.41
1535.1
1909.083
1909.08
1593.958
1573.267
1460.793
1569.622
1529.184
1535.374
1527.113
1491.297
1404.7
1435.359
1457.08
1460.8
1460.8
1460.8
2036.854
1397.483
1374.042
1375.72

214.412
213.693
217.439
214.863
215.306
219.684
212.595
212.414
212.568
209.385
207.01
136.06
223.79
223.79
190.61
205.81
205.81
205.81
205.81
181.3
209.44
215.84
209.44
206.01
200
200
200.7
238.874
238.87
207.078
208.564
207.777
209.578
208.509
207.3
208.921
207.14
210
205.535
205.99
207.93
207.93
207.939
227.486
213.703
214.762
211.63

5
12
6
11
9
10
13
13
12
19
32
70
57
4
76
106
115
115
115
101
82
0
32
75
72
75
68
18
105
57
52
38
49
46
48
46
43
50
36
41
78
80
40
33
26
21
23

426
413
414
399
427
415
416
417
400
418
401
402
403
394
419
420
404
405
406
421
422
423
408
410
411
397
395
407
409
398
396
393
428
433
429
430
431
432
3
2
1
4
5
16
17
18
19

C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20
C9H20O
C9H20S
C9H20S
C9H20S
C9H20S
C9H20S
CCL2F2
CCL3F
CCL4
CCLF3
CF4
CH2CL2
CH2CLF
CH2F2
CH2I2

2,2,4,4-tetramethylpentane
2,2,4-trimethylhexane
2,2,5-trimethylhexane
2,2-dimethylheptane
2,3,3,4-tetramethylpentane
2,3,3-trimethylhexane
2,3,4-trimethylhexane
2,3,5-trimethylhexane
2,3-dimethylheptane
2,4,4-trimethylhexane
2,4-dimethylheptane
2,5-dimethylheptane
2,6-dimethylheptane
2-methyloctane
3,3,4-trimethylhexane
3,3-diethylpentane
3,3-dimethylheptane
3,4-dimethylheptane
3,5-dimethylheptane
3-ethyl-2,2-dimethylpentane
3-ethyl-2,3-dimethylpentane
3-ethyl-2,4-dimethylpentane
3-ethyl-2-methylhexane
3-ethyl-3-methylhexane
3-ethyl-4-methylhexane
3-ethylheptane
3-methyloctane
4,4-dimethylheptane
4-ethyl-2-methylhexane
4-ethylheptane
4-methyloctane
nonane
nonyl-alcohol
1-nonanethiol
butyl-pentyl-sulfide
ethyl-heptyl-sulfide
hexyl-propyl-sulfide
methyl-octyl-sulfide
dichlorodifluoromethane
trichlorofluoromethane
carbon-tetrachloride
chlorotrifluoromethane
carbon-tetrafluoride
dichloromethane
chlorofluoromethane
difluoromethane
diiodomethane

6.7971
6.84922
6.83531
6.88174
6.85961
6.85417
6.85274
6.87078
6.87635
6.85163
6.90252
6.89317
6.89385
6.91191
6.85761
6.89262
6.87553
6.88359
6.90164
6.87166
6.84463
6.85293
6.8869
6.87787
6.8943
6.90489
6.9092
6.86968
6.9003
6.89898
6.90318
6.9344
6.6757
6.9839
6.23448
6.23448
6.23448
6.23448
6.68619
6.8843
6.8941
6.35109
6.9723
7.0803
6.20452
7.1389
6.94246

1325.183
1340.9
1324.049
1363.91
1417.473
1389.79
1387.22
1359.09
1389.5
1368.723
1368.72
1375.4
1368
1398.42
1403.88
1451.245
1385.36
1396.9
1382.8
1383.13
1418
1380.54
1390.2
1406.8
1404.3
1406.5
1405.8
1378.7
1376.1
1399.8
1399.12
1429.46
1276.63
1655.6
1421.32
1421.32
1421.32
1421.32
782.072
1043.01
1219.58
522.061
540.5
1138.91
740.39
821.7
1567.8

216.093
211.35
210.737
208.21
214.705
212.1
210.22
209.29
207.3
214.047
207.44
206.8
205.68
203.65
212.56
215.575
209.79
208.4
207.9
212.75
213
210.87
209
211.4
209.5
206.5
204.76
210.4
208.6
207.2
205.41
201.82
123.06
183.7
205.81
205.81
205.81
205.81
235.377
236.86
227.17
231.677
260.1
231.46
231.86
244.7
204

13
18
16
24
27
25
27
22
29
20
24
27
26
33
27
31
26
29
26
23
30
25
27
28
29
32
33
24
25
30
32
39
90
93
129
129
129
129
-119
-33
-20
-150
-180
-44
-55
-82
83

20
21
22
23
24
25
26
29
30
31
32
11
10
12
13
14
6
7
8
9
999
998

CH2O
CH2O2
CH3BR
CH3CL
CH3F
CH3I
CH3NO2
CH4
CH4O
CH4S
CH5N
CHCL2F
CHCL3
CHCLF2
CHF3
CHI3
CO
CO2
COS
CS2
H20
H20

formaldehyde
formic-acid
bromomethane
chloromethane
fluoromethane
iodomethane
nitromethane
methane
methanol
methanethiol
methylamine
dichlorofluoromethane
chloroform
chlorodifluoromethane
trifluoromethane
triiodomethane
carbon-monoxide
carbon-dioxide
carbonyl-sulfide
carbon-disulfide
Water
Water

7.1561
957.24
243.01
7.3779 1563.28 247.07
6.9597
986.59
238.33
6.9944
902.45
243.61
7.0976
740.22
253.89
6.988
1146.34 236.66
7.044
1291
209.01
6.69561 405.42 267.777
8.0724 1574.99 238.87
7.03163 1015.547 238.706
7.4969 1079.15 240.24
6.97575 996.267 234.172
6.9371
1171.2
227
6.7577
740.39
231.86
7.0886
705.33
249.78
6.59598 1567.8
204
6.2402
230.27
260.01
9.8106 1347.79
273
6.90723 804.48
250
6.9419 1168.62 241.54
8.07131 1730.63 233.426
8.14019 1810.94 244.485

-88
-2
-58
-93
-132
-13
5
-181
-16
-70
-61
-91
-13
-48
-128
137
-210
-119
-111
-45
1
99

MIN and TMAX) -

t calculations, the
her information,

TMAX
236
228
227
213
211
213
214
246
228
219
210
199
211
209
190
188
177
187
184

176
177
165
179
177
185
195
182
189
191
185
189
190
184
193
180
185
175
184
181
187
187
188
197
190
186
196
201
191
185
196
190
190
192
193
192
188
189
200
185
194
189
183
200
185
200
190

192
193
192
187
195
197
197
186
191
175
190
190
185
193
191
190
192
188
194
186
188
194
203
230
271
285
285
285
285
285
298
278
250
278
274
270
237
267
234
222
235
226
243
290
309
309
309

309
272
269
310
310
313
310
320
292
315
310
310
291
247
218
246
300
258
288
257
256
244
247
214
308
307
333
333
333
333
328
335
312
303
303
335
279
308
278
276
264
267
304
325
355
355
355

355
292
291
248
282
282
298
326
298
296
283
286
264
341
376
376
376
376
376
357
360
370
316
349
316
314
302
304
339
356
397
397
397
397
333
277
367
333
330
319
321
190
370
416
416
416
416

416
383
349
384
349
346
335
337
383
384
434
434
434
434
363
298
400
364
361
350
352
385
397
452
452
452
452
452
407
377
416
378
375
364
366
395
409
468
468
468
468
390
431
392
388
378
379

406
421
484
484
484
484
484
429
403
404
401
415
416
4
83
187
186
-43
-63
-73
-83
32
84
85
130
-86
2.6
2.6
-18
16
17
155
82
-72
27
117
-91
131
79
100
0
253
47
37
157
51
106

77
60
37
-21
60
86
114
60
-75
96
-8
221
56
58
135
37
43
127
162
-31
-4
112
-16
-6
177
93
77
197
142
132
-28
-32
250
135
162
105
275
77
127
77
67
120
71
60
77
67
30

8
103
90
131
120
70
70
-25
37
101
127
91
75
90
77
32
1
7
19
131
20
51
39
120
103
123
109
113
87
117
109
120
182
100
77
98
75
0
32
90
108
30
14
27
47
2
164

160
127
13
23
20
12
17
166
161
246
103
107
112
137
147
141
110
146
69
112
87
102
124
127
182
167
51
52
60
58
58
41
72
218
137
139
173
170
173
124
148
123
29
49
58
80
138

133
153
125
150
145
152
138
141
66
65
63
46
62
69
55
78
62
47
105
71
309
117
118
130
119
130
87
166
87
78
97
88
92
91
85
90
64
90
90
77
91
94
77
79
81
105
96

161
156
169
73
81
83
89
92
157
91
89
181
172
147
153
170
226
127
202
210
204
114
130
112
177
147
97
197
104
208
198
169
185
227
142
113
118
125
116
162
129
127
117
117
155
106
104

115
105
115
111
118
117
123
176
134
206
203
203
203
139
191
287
155
65
136
207
207
207
163
166
172
166
170
147
148
158
147
152
197
160
158
151
152
147
169
133
136
125
133
142
140
142
135

135
144
138
144
142
145
145
145
144
152
182
195
149
109
229
215
231
231
231
263
172
75
187
220
250
255
170
179
197
205
198
181
193
190
194
191
188
223
174
185
164
166
186
185
169
161
161

150
154
151
160
170
166
167
159
168
158
160
163
162
171
169
175
165
168
163
162
174
165
166
169
168
171
172
163
161
169
170
179
214
251
258
258
258
258
-30
27
101
-81
-125
59
12
-32
232

-2
136
53
-7
-64
52
136
-152
91
25
38
9
97
-33
-82
254
-165
-69
-49
69
100
374

Komponen
hexyl-alcohol
octyl-alcohol

A
7.8604
6.837

B
1761.26
1310.62

atm

C
196.67
136.06

Tf
35
70

Tb
157
195

45 line
T
157
159
161
163
165
167
169
171
173
175
177
179
181
183
185
187
189
191
193
195

PA
0.999
1.066
1.136
1.210
1.288
1.370
1.456
1.546
1.641
1.741
1.846
1.956
2.071
2.191
2.317
2.449
2.587
2.731
2.882
3.039

PB
0.305
0.327
0.350
0.375
0.401
0.428
0.457
0.487
0.519
0.553
0.588
0.626
0.665
0.705
0.748
0.793
0.840
0.889
0.940
0.994

XA
1.000
0.911
0.827
0.749
0.676
0.607
0.544
0.484
0.428
0.376
0.327
0.282
0.239
0.198
0.160
0.125
0.092
0.060
0.031
0.000

YA
1.000
0.971
0.939
0.906
0.870
0.832
0.791
0.749
0.703
0.655
0.604
0.551
0.494
0.434
0.372
0.306
0.237
0.165
0.089
0.000

alfa
3.278211
3.260817
3.244224
3.2284
3.213313
3.198933
3.185232
3.172182
3.159757
3.147935
3.13669
3.126001
3.115848
3.10621
3.097067
3.088402
3.080198
3.072437
3.065104
3.058184
3.151757

X
0
1
q line
X
0.66
0.5
0.4
Enriching Line 1
0.96
0.603
0
Enriching Line 2
0.96
0.603
0
Stripping Line 2
0.01278
0.62

45 line
Y
0.000
1

1.000
0.900
0.800

q line

0.700
0.600
Y*

Y
0.66
1.14
1.44
Enriching Line 1
0.95996
0.831976
0.6158

x,y
operating line

0.500

q line

0.400

enriching line
0.300

Poly. (x,y)

0.200

Enriching Line 2
0.95988
0.771384
0.453

y = 1.1291x3 - 2.7139x2 + 2.5793x + 0.015

R = 0.9995

0.100
0.000
0.000

0.200

0.400

0.600

0.800

1.000

Stripping Line 2
0.012801
0.77972

1.000
0.900
0.800
0.700

Y*

0.600
0.500

Kurva X,Y*
45 Line
q line

0.400

Enriching Line 2

0.300

Stripping Line
Poly. (Kurva X,Y*)

0.200
0.100
0.000

0.000
0.000

0.200

0.400

0.600
X

0.800

1.000

operating line

1.000

q line

0.900
0.800

enriching line

0.700

Poly. (x,y)

0.600
Y*

+ 2.5793x + 0.015

y = 1.129x3 - 2.713x2 + 2.579x + 0.015

R = 0.999

0.500

x,y

0.400

45 Line

0.300

Poly. (x,y)

0.200
0.100
0.000
0.000

0.200

0.400

0.600
X

Kurva X,Y*

Enriching Line 2
Stripping Line
Poly. (Kurva X,Y*)

0.800

1.000

439

Komponen
Heksanol
Oktanol

C1

Komponen
Heksanol
Oktanol

C1

Komponen
Heksanol
Oktanol

C1

C2
-66.65
-19.907

C3
5325
2791.7

C2
267628
571370

C3
-1033
-4849

C2
7.035
7.6376

Xf

7.66
0.94296

C4
3.352
19.725

C3
-0.9575
-0.7612

0.66
0.34

Cp (J/mol.K)
0
460141.792
-0.0215
425083.5665

C4
3.1431
2.7875

Viskositas (Pa.s)
0.000365994
0.000405522

Tc
-1.8066
-1.6033

632.3
652.3

0.694290685
0.673003219

Viskositas (Cp)
0.366 0.379434
0.406

Cp (J/mol.K)
460.141792
425.0835665

lamda J/mol
0.004625184
0.004946573

TG
TL
T0
CLA
CLB
Mr A
Mr B
X
1
0.911077
0.827088
0.748775
0.675703
0.607477
0.543732
0.484137
0.428388
0.376203
0.327328
0.281527
0.238581
0.198292
0.160477
0.124965
0.0916
0.060238
0.030746
0

447.78
438.41
298
460.1418
425.0836
102
130
CL
460.1418
457.0243
454.0798
451.3343
448.7725
446.3806
444.1459
442.0566
440.1021
438.2726
436.5591
434.9534
433.4478
432.0353
430.7096
429.4646
428.2949
427.1954
426.1615
425.0836

lamda A
lamda B

M av
102
104.4899
106.8415
109.0343
111.0803
112.9907
114.7755
116.4442
118.0051
119.4663
120.8348
122.1173
123.3197
124.4478
125.5066
126.501
127.4352
128.3133
129.1391
130

HL
6590068
6705196
6811933
6909705
6999409
7081836
7157689
7227591
7292097
7351700
7406843
7457921
7505289
7549264
7590132
7628152
7663556
7696556
7727340
7759178

0.004625
0.004947

Y
1
0.970938
0.93946
0.905858
0.87005
0.831953
0.791485
0.74856
0.703091
0.654991
0.604171
0.55054
0.494007
0.434479
0.371864
0.306065
0.236989
0.164537
0.088612
0

y = -1E+06x + 8E+06

100000
95000
90000
Axis Title

HG
7029844
7066088
7105345
7147252
7191909
7239420
7289889
7343422
7400128
7460114
7523494
7590379
7660883
7735121
7813211
7895270
7981418
8071774
8166462
8276973

85000
80000

Series1

75000

HG,Y

70000

Linear (HG,Y)

65000
60000
0

0.2

0.4

0.6

Axis Title

0.8