Sie sind auf Seite 1von 26

www.myChemE.

com
Antoine Coefficients for almost 700 Components

Antoine Coefficients from "To estimate vapor pressure easily. antoine coefficients relate vapor pressure to
temperature for almost 700 major organic compounds", Hydrocarbon Processing, 68(10), p65-68, 1989. (Yaws,
C. L. and Yang, H. C.)
The form of the Antoine Equation used in this spreadsheet is presented below:

Log10 ( P)

B
T C

Where:
P

- Vapour pressure of the component, mmHg

T
A, B,C

- Temperature, oC
- 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
999
998
1
2
3
4
5
6
7
8
9
10
11
12
13
14
16
17
18
19
20
21
22
23
24
25

Formula
H20
H20
CCL4
CCL3F
CCL2F2
CCLF3
CF4
CO
CO2
COS
CS2
CHCL3
CHCL2F
CHCLF2
CHF3
CHI3
CH2CL2
CH2CLF
CH2F2
CH2I2
CH2O
CH2O2
CH3BR
CH3CL
CH3F
CH3I

Compound Name
Water
Water
carbon-tetrachloride
trichlorofluoromethane
dichlorodifluoromethane
chlorotrifluoromethane
carbon-tetrafluoride
carbon-monoxide
carbon-dioxide
carbonyl-sulfide
carbon-disulfide
chloroform
dichlorofluoromethane
chlorodifluoromethane
trifluoromethane
triiodomethane
dichloromethane
chlorofluoromethane
difluoromethane
diiodomethane
formaldehyde
formic-acid
bromomethane
chloromethane
fluoromethane
iodomethane

A
8.07131
8.14019
6.8941
6.8843
6.68619
6.35109
6.9723
6.2402
9.8106
6.90723
6.9419
6.9371
6.97575
6.7577
7.0886
6.59598
7.0803
6.20452
7.1389
6.94246
7.1561
7.3779
6.9597
6.9944
7.0976
6.988

B
1730.63
1810.94
1219.58
1043.01
782.072
522.061
540.5
230.27
1347.79
804.48
1168.62
1171.2
996.267
740.39
705.33
1567.8
1138.91
740.39
821.7
1567.8
957.24
1563.28
986.59
902.45
740.22
1146.34

C
233.426
244.485
227.17
236.86
235.377
231.677
260.1
260.01
273
250
241.54
227
234.172
231.86
249.78
204
231.46
231.86
244.7
204
243.01
247.07
238.33
243.61
253.89
236.66

26
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86

CH3NO2
CH4
CH4O
CH4S
CH5N
C2CL4
C2CL6
C2CL3F3
C2CL2F4
C2CLF5
C2F4
C2F6
C2N2
C2HCL3
C2HCL5
C2HF3
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
C2H4S
C2H5BR
C2H5CL
C2H5F
C2H5I
C2H5N
C2H5NO2
C2H5NO3
C2H6
C2H6O
C2H6O
C2H6O2
C2H6S
C2H6S
C2H6S2
C2H7N

nitromethane
methane
methanol
methanethiol
methylamine
tetrachloroethene
hexachloroethane
112trichlorotrifluoroethane
12dichlorotetrafluoroethane
chloropentafluoroethane
tetrafluoroethene
hexafluoroethane
cyanogen
trichloroethene
pentachloroethane
trifluoroethene
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
ethylene-oxide
acetaldehyde
acetic-acid
methyl-formate
thioacetic-acid
thiacyclopropane
bromoethane
chloroethane
fluoroethane
iodoethane
ethylenimine
nitroethane
ethyl-nitrate
ethane
methyl-ether
ethyl-alcohol
ethylene-glycol
methyl-sulfide
ethanethiol
methyl-disulfide
ethylamine

7.044
6.69561
8.0724
7.03163
7.4969
7.02
7.08633
6.8803
6.87084
6.8333
6.8966
6.7933
6.43629
7.0281
6.74
5.68715
9.1402
6.9722
7.0223
6.9651
6.6317
6.34918
5.31401
5.31401
6.9573
7.24379
6.4971
6.9653
6.8407
6.33949
6.9038
7.0735
6.74756
6.72148
6.9853
7.0253
7.03
6.98834
7.2701
7.0565
7.2996
7.1704
7.74889
7.03725
6.92
6.94
6.9785
6.959
7.1323
7.58777
7.1637
6.83452
7.3164
8.2133
8.7945
6.94879
6.95206
6.97792
7.3862

1291
405.42
1574.99
1015.547
1079.15
1415.49
1626.945
1099.9
942.336
802.97
683.84
657.06
576.579
1315.1
1378
491.359
1232.6
1099.4
1205.4
1141.9
1228.1
491.359
491.359
491.359
803.1
1219.308
783.4
1351
1062.86
593.551
788.21
1279.2
585
1280.82
1171.42
1271.25
910
1647.1
1115.1
1070.6
1479.02
1125.2
1479.02
1194.37
1090.81
1012.78
854.21
1232
1133.7
1671.266
1338.8
663.7
1025.56
1652.05
2615.4
1090.755
1084.531
1346.342
1137.3

209.01
267.777
238.87
238.706
240.24
221.01
197.048
227.5
232.632
242.28
245.94
246.22
182.308
230.01
197
227.23
280.9
237.2
230.6
231.9
179.9
227.239
227.23
227.23
238.01
264.021
230.01
217
217.63
243.111
243.24
224.01
255
201.75
228.13
222.94
244
201
244.15
236.01
216.82
230.56
216.82
232.42
231.72
236.68
246.16
229
210.01
241.187
224.9
256.47
256.06
231.48
244.91
230.799
231.385
218.863
235.86

87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145

C2H7N
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
C3H7F
C3H7I
C3H7I
C3H7NO2
C3H7NO2
C3H7NO3
C3H7NO3
C3H8
C3H8O
C3H8O
C3H8O
C3H8S
C3H8S
C3H8S
C3H9N
C3H9N
C4F8
C4H2
C4H4
C4H4O
C4H4S
C4H6
C4H6
C4H6
C4H6
C4H6
C4H6O3
C4H7N
C4H7N
C4H8
C4H8
C4H8

dimethylamine
acrylonitrile
allene(propadiene)
propyne(methylacetylene)
acrylic-acid
3-bromo-1-propene
3-chloro-1-propene
1,2,3-trichloropropane
3-iodo-1-propene
propionitrile
propene
cyclopropane
1,2-dibromopropane
1,2-dichloropropane
1,3-dichloropropane
2,2-dichloropropane
1,2-diiodopropane
propylene-oxide
allyl-alcohol
propionaldehyde
acetone
thiacyclobutane
1-bromopropane
2-bromopropane
1-chloropropane
2-chloropropane
1-fluoropropane
2-fluoropropane
1-iodopropane
2-iodopropane
1-nitropropane
2-nitropropane
propyl-nitrate
isopropyl-nitrate
propane
ethyl-methyl-ether
propyl-alcohol
isopropyl-alcohol
ethyl-methyl-sulfide
1-propanethiol
2-propanethiol
propylamine
trimethylamine
octafluorocyclobutane
butadiyne(biacetylene)
1buten3yne(vinylacetylene)
furan
thiophene
1,2-butadiene
1,3-butadiene
1-butyne(ethylacetylene)
2-butyne(dimethylacetylene)
cyclobutene
acetic-anhydride
butyronitrile
isobutyronitrile
1-butene
2-butene,cis
2-butene,trans

7.0639
6.9163
5.7137
6.78485
7.1926
7.05187
6.9388
7.0028
6.9693
6.9301
6.8196
6.8879
6.89105
6.9654
6.97186
6.9482
6.0765
6.6546
7.3424
7.0493
7.2316
7.01667
7.03766
7.00463
6.9311
6.9654
6.9533
7.07451
7.22121
7.0167
7.1146
7.48654
7.73719
6.42006
6.80398
5.8819
7.6192
8.1182
6.93849
6.92846
6.87734
6.9468
6.9704
6.8153
5.51917
6.953
6.9753
6.95926
6.99383
6.84999
6.98198
7.07338
6.95769
7.1216
7.0396
7.21591
6.8429
6.86926
6.86952

1024.4
1208.3
458.06
803.73
1441.5
1259.83
1099.6
1484.1
1316.5
1277.2
785
856.01
1419.6
1296.4
1376.2
1201.1
1507.41
915.31
1271.7
1154.8
1277.03
1321.331
1259.836
1223.475
1121.12
1081.6
965.18
965.18
1507.41
1340.448
1467.45
1664.036
1721.723
1018.568
803.81
504.49
1375.14
1580.92
1182.562
1183.307
1113.895
1108.2
968.7
862.49
460.684
957
1060.85
1246.02
1041.117
930.546
988.75
1101.71
1009.32
1427.77
1390.7
1390.7
926.1
960.1
960.8

238.01
222.01
196.07
229.08
193.01
232.04
226.01
204.01
220
218.01
247
246.51
212
221
216
226
244.7
208.29
188.01
229.01
237.23
224.513
232.042
236.508
230.21
230.01
239.5
239.5
244.701
234.365
215.23
240.995
245.49
183.528
246.99
160.76
193.01
219.62
224.784
224.624
226.157
224.01
234.01
225.15
164.594
230.01
227.75
221.35
242.274
238.854
233.01
235.81
244.986
198.05
217
217
240
237
240

146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204

C4H8
C4H8
C4H8BR2
C4H8BR2
C4H8I2
C4H8O
C4H8O
C4H8O2
C4H8O2
C4H8S
C4H9BR
C4H9BR
C4H9BR
C4H9CL
C4H9CL
C4H9CL
C4H9CL
C4H9I
C4H9N
C4H9NO2
C4H9NO2
C4H10
C4H10
C4H10O
C4H10O
C4H10O
C4H10O
C4H10O
C4H10O
C4H10S
C4H10S
C4H10S
C4H10S
C4H10S
C4H10S
C4H10S
C4H10S2
C4H11N
C4H11N
C4H11N
C4H11N
C5H5N
C5H6S
C5H6S
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H8
C5H10
C5H10
C5H10

2-methylpropene
cyclobutane
1,2-dibromobutane
2,3-dibromobutane
1,2-diiodobutane
butyraldehyde
2-butanone
p-dioxane
ethyl-acetate
thiacyclopentane
1-bromobutane
2-bromobutane
2-bromo-2-methylpropane
1-chlorobutane
2-chlorobutane
1-chloro-2-methylpropane
2-chloro-2-methylpropane
2-iodo-2-methylpropane
pyrrolidine
1-nitrobutane
2-nitrobutane
butane
2-methylpropane(isobutane)
ethyl-ether
methyl-propyl-ether
methyl-isopropyl-ether
butyl-alcohol
sec-butyl-alcohol
tert-butyl-alcohol
ethylsulfide
isopropyl-methyl-sulfide
methyl-propyl-sulfide
1-butanethiol
2-butanethiol
2-methyl-1-propanethiol
2-methyl-2-propanethiol
ethyl-disulfide
butylamine
sec-butylamine
tert-butylamine
diethylamine
pyridine
2-methylthiophene
3-methylthiophene
1,2-pentadiene
1,3-pentadiene,cis
1,3-pentadiene,trans
1,4-pentadiene
2,3-pentadiene
3-methyl-1,2-butadiene
2-methyl-1,3-butadiene
1-pentyne
2-pentyne
3-methyl-1-butyne
cyclopentene
spiropentane
1-pentene
2-pentene,cis
2-pentene,trans

6.84134
6.9163
7.25696
7.20023
6.2433
7.0212
7.2087
7.0063
7.0146
6.9954
6.92254
6.82724
6.6685
6.9379
6.9447
6.95304
6.8671
7.2539
6.9246
6.86715
7.25197
6.80896
6.91048
6.92032
6.1186
6.24495
7.4768
7.4743
7.3199
6.92836
6.90196
6.95545
6.92754
6.88698
6.88746
6.78781
6.97507
7.213
7.15069
6.78309
6.9724
6.9882
6.93897
6.98611
6.9182
6.91089
6.91317
6.83543
6.96216
6.9435
6.88564
6.9673
7.04614
6.8848
6.9207
6.917
6.8465
6.87274
6.90575

923.2
1024.54
1759.076
1691.481
1507.41
1233
1368.21
1288.5
1211.9
1401.939
1298.608
1229.08
1129.7
1227.43
1195.8
1205.079
1114.9
1507.41
1179.99
1467.45
1664.03
935.86
946.35
1064.07
708.69
708.69
1362.39
1314.19
1154.48
1257.833
1232.17
1284.32
1281.018
1229.904
1237.282
1115.565
1485.97
1308.4
1238.3
993.262
1127
1344.2
1326.48
1363.84
1104.991
1101.923
1103.84
1017.995
1126.837
1103.901
1071.578
1092.52
1189.87
1014.81
1121.81
1090.08
1044.895
1067.951
1083.987

240
241.38
235.009
230.223
244.7
223.01
236.51
211.01
216.01
219.607
219.7
220
225
224.11
226.01
227.046
229.01
244.7
205.26
215.23
240.99
238.73
246.68
228.8
179.9
179.9
178.73
186.51
177.66
218.662
221.67
219.66
218.1
222.021
220.313
221.314
208.958
224.2
227
210.493
220.01
212.01
214.31
216.78
228.851
229.367
231.724
231.461
227.841
230.89
233.513
227.19
229.6
227.11
233.46
231.1
233.516
230.585
232.965

205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263

C5H10
2-methyl-1-butene
C5H10
3-methyl-1-butene
C5H10
2-methyl-2-butene
C5H10
cyclopentane
C5H10BR22,3-dibromo-2-methylbutane
C5H10O valeraldehyde
C5H10O 2-pentanone
C5H10S thiacyclohexane
C5H10S cyclopentanethiol
C5H11BR 1-bromopentane
C5H11CL 1-chloropentane
C5H11CL 1-chloro-3-methylbutane
C5H11CL 2-chloro-2-methylbutane
C5H12
pentane
C5H12
2-methylbutane(isopentane)
C5H12
2,2-dimethypropane
C5H12O methyl-tert-butyl-ether
C5H12O pentyl-alcohol
C5H12O tert-pentyl-alcohol
C5H12S butyl-methyl-sulfide
C5H12S ethyl-propyl-sulfide
C5H12S 2-methyl-2-butanethiol
C5H12S 1-pentanethiol
C6CL6
hexachlorobenzene
C6F6
hexafluorobenzene
C6H4CL2 o-dichlorobenzene
C6H4CL2 m-dichlorobenzene
C6H4CL2 p-dichlorobenzene
C6H4F2 m-difluorobenzene
C6H4F2 o-difluorobenzene
C6H4F2 p-difluorobenzene
C6H5BR bromobenzene
C6H5CL chlorobenzene
C6H5F
fluorobenzene
C6H5I
iodobenzene
C6H6
benzene
C6H6O
phenol
C6H6S
benzenethiol
C6H7N
2-picoline
C6H7N
3-picoline
C6H7N
aniline
C6H10
1-hexyne
C6H10
cyclohexene
C6H10
1-methylcyclopentene
C6H10
3-methylcyclopentene
C6H10
4-methylcyclopentene
C6H10O cyclohexanone
C6H12
1-hexene
C6H12
2-hexene,cis
C6H12
2-hexene,trans
C6H12
3-hexene,cis
C6H12
3-hexene,trans
C6H12
2-methyl-1-pentene
C6H12
3-methyl-1-pentene
C6H12
4-methyl-1-pentene
C6H12
2-methyl-2-pentene
C6H12
3-methyl-2-pentene,cis
C6H12
3-methyl-2-pentene,trans
C6H12
4-methyl-2-pentene,cis

6.87314
6.82618
6.91562
6.88676
7.36735
7.0192
6.95
6.90518
6.91497
6.9558
6.96617
6.79527
6.95902
6.87632
6.83315
6.60427
5.896
7.1776
7.8753
6.94583
6.9338
6.82837
6.93311
9.78602
7.033
7.0703
7.3037
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
6.91212
6.8724
6.86884
6.87259
6.87015
6.97851
6.86572
7.03805
6.89342
6.87854
6.9178
6.8503
6.75523
6.83529
6.92367
6.91073
6.92634
6.84129

1053.78
1013.474
1095.088
1124.162
1695.9
1316
1274.6
1422.47
1388.63
1401.634
1332.89
1258.5
1258.5
1075.78
1040.73
883.42
708.69
1314.56
1604.7
1363.808
1341.57
1254.885
1369.479
4597.57
1227.98
1649.55
1782.4
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
1194.6
1221.9
1199.6
1165.6
1197.6
1495.58
1152.971
1258.571
1173.343
1164.134
1180.707
1138.516
1086.316
1121.302
1183.837
1186.402
1194.527
1120.707

232.788
236.816
232.842
231.361
207
215.01
210.91
211.72
212.05
214.38
218.5
223
223
233.205
235.445
227.782
179.9
168.16
208.16
212.074
212.51
218.759
211.314
355.961
215.5
213.32
230.01
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
225
223.18
225
227
225
209.559
225.849
233.851
224.53
224.749
225.384
224.704
226.204
229.687
225.514
226.696
224.833
226.586

264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322

C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12
C6H12O
C6H12O
C6H12S
C6H14
C6H14
C6H14
C6H14
C6H14
C6H14O
C6H14O
C6H14O
C6H14S
C6H14S
C6H14S
C6H14S
C6H14S
C6H14S2
C6H15N
C7H5F3
C7H5N
C7H6O2
C7H7F
C7H8
C7H8
C7H8O
C7H8O
C7H8O
C7H12
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14
C7H14O
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16
C7H16O
C7H16O
C7H16S
C7H16S
C7H16S

4-methyl-2-pentene,trans
2-ethyl-1-butene
2,3-dimethyl-1-butene
3,3-dimethyl-1-butene
2,3-dimethyl-2-butene
cyclohexane
methylcyclopentane
cyclohexanol
hexanal
thiacycloheptane
hexane
2-methylpentane
3-methylpentane
2,2-dimethylbutane
2,3-dimethylbutane
propyl-ether
isopropyl-ether
hexyl-alcohol
butyl-ethyl-sulfide
isopropyl-sulfide
methyl-pentyl-sulfide
propyl-sulfide
1-hexanethiol
propyl-disulfide
triethylamine
a,a,a-trifluorotoluene
benzonitrile
benzoic-acid
p-fluorotoluene
toluene
1,3,5-cycloheptatriene
m-cresol
o-cresol
p-cresol
1-heptyne
1-heptene
cycloheptane
ethylcyclopentane
1,1-dimethylcyclopentane
c-1,2-dimethylcyclopentane
t-1,2-dimethylcyclopentane
c-1,3-dimethylcyclopentane
t-1,3-dimethylcyclopentane
methylcyclohexane
heptanal
heptane
2-methylhexane
3-methylhexane
3-ethylpentane
2,2-dimethylpentane
2,3-dimethylpentane
2,4-dimethylpentane
3,3-dimethylpentane
2,2,3-trimethylbutane
isopropyl-tert-butyl-ether
heptyl-alcohol
butyl-propyl-sulfide
ethyl-pentyl-sulfide
hexyl-methyl-sulfide

6.8803
6.99712
6.86236
6.67751
6.95058
6.8413
6.86283
6.2553
6.71442
6.90523
6.87024
6.8391
6.81887
6.75483
6.80983
6.9476
7.0971
7.8604
6.94102
6.87118
7.11609
6.93577
6.94664
6.97529
6.8989
6.97045
7.72911
7.454
6.99426
6.95464
6.97433
7.508
6.9117
7.0351
6.68593
6.90069
6.8539
6.88709
6.81724
6.85008
6.84422
6.83715
6.83817
6.823
5.47587
6.89385
6.87318
6.86764
6.87564
6.8148
6.85382
6.82621
6.82667
6.7923
6.62913
6.6476
6.65279
6.65279
6.65279

1142.874
1218.352
1134.675
1010.516
1215.428
1201.531
1186.059
912.87
1316
1422.47
1168.72
1135.41
1152.368
1081.176
1127.187
1256.5
1257.6
1761.26
1421.32
1327.12
1413.44
1413.44
1454.004
1603.793
1251.8
1306.35
2110.572
1820
1374.055
1344.8
1376.84
1856.36
1435.5
1511.08
1216.6
1257.505
1331.57
1298.599
1219.474
1269.14
1242.748
1237.456
1240.023
1270.763
686.453
1264.37
1236.026
1240.196
1251.827
1190.033
1238.017
1192.041
1228.663
1200.563
1257.6
1140.64
1421.32
1421.32
1421.32

227.143
231.3
229.367
224.909
225.443
222.647
226.042
109.13
215.01
211.72
224.21
226.572
227.129
229.343
228.9
219
230.01
196.67
205.81
212.55
205.73
205.73
204.954
195.848
222.01
217.38
244.819
147.96
217.4
219.482
220.75
199.07
165.16
161.86
220
219.179
216.36
220.675
221.946
220.209
221.686
222.005
221.621
221.416
111.817
216.636
219.545
219.223
219.887
223.303
221.823
221.634
225.316
226.05
230.01
126.56
205.81
205.81
205.81

323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381

C7H16S
C8H6
C8H8
C8H8
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
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18
C8H18O
C8H18O
C8H18O
C8H18O
C8H18S
C8H18S
C8H18S
C8H18S
C8H18S
C8H18S2
C9H10
C9H10
C9H10
C9H10
C9H10
C9H10
C9H12
C9H12
C9H12
C9H12

1-heptanethiol
ethynylbenzene
styrene
1,3,5,7-cyclooctatetraene
ethylbenzene
m-xylene
o-xylene
p-xylene
1-octyne
1-octene
cyclooctane
propylcyclopentane
ethylcyclohexane
1,1-dimethylcyclohexane
c-1,2-dimethylcyclohexane
t-1,2-dimethylcyclohexane
c-1,3-dimethylcyclohexane
t-1,3-dimethylcyclohexane
c-1,4-dimethylcyclohexane
t-1,4-dimethylcyclohexane
octanal
octane
2-methylheptane
3-methylheptane
4-methylheptane
3-ethylhexane
2,2-dimethylhexane
2,3-dimethylhexane
2,4-dimethylhexane
2,5-dimethylhexane
3,3-dimethylhexane
3,4-dimethylhexane
3-ethyl-2-methylpentane
3-ethyl-3-methylpentane
2,2,3-trimethylpentane
2,2,4-trimethylpentane
2,3,3-trimethylpentane
2,3,4-trimethylpentane
2,2,3,3-tetramethylbutane
butyl-ether
sec-butyl-ether
tert-butyl-ether
octyl-alcohol
butyl-sulfide
ethyl-hexyl-sulfide
heptyl-methyl-sulfide
pentyl-propyl-sulfide
1-octanethiol
butyl-disulfide
alpha-methylstyrene
propenylbenzene,cis
propenylbenzene,trans
m-methylstyrene
o-methylstyrene
p-methylstyrene
propylbenzene
cumene
m-ethyltoluene
o-ethyltoluene

6.95249
6.957
6.9571
7.00669
6.95719
7.00908
6.99891
6.99052
7.02447
6.93263
6.8619
6.90392
6.86728
6.79821
6.83746
6.83308
6.83883
6.83455
6.83287
6.81773
12.51168
6.9094
6.91735
6.89944
6.90065
6.89098
6.83715
6.87004
6.85305
6.85984
6.85121
6.87986
6.86358
6.86731
6.82546
6.81189
6.84353
6.85396
6.87665
6.9825
6.79153
6.93294
6.837
6.54589
6.42693
6.42693
6.42693
6.96909
6.9638
7.0924
7.44961
7.54993
6.87928
6.88461
7.0112
6.95142
6.93666
7.01582
7.00314

1525.311
1445.58
1445.58
1472.11
1424.255
1462.266
1474.679
1453.43
1413.8
1353.486
1437.78
1384.386
1382.466
1321.705
1367.311
1353.881
1338.473
1343.687
1345.613
1330.437
3977.531
1349.82
1337.468
1331.53
1327.661
1327.884
1273.594
1315.503
1287.876
1287.274
1307.882
1330.035
1318.12
1347.209
1294.875
1257.84
1328.046
1315.084
1329.93
1431.5
1348.53
1348.533
1310.62
1421.32
1421.32
1421.32
1421.32
1593
1684.1
1582.7
1909.083
1909.08
1471.44
1485.41
1535.1
1491.297
1460.793
1529.184
1535.374

197.696
209.44
209.44
215.84
213.206
215.105
213.686
215.307
215
212.764
209.98
213.159
214.995
217.845
215.835
219.132
218.072
215.394
216.154
218.581
244.532
209.385
213.693
212.414
212.568
212.595
215.072
214.157
214.79
214.412
217.439
214.863
215.306
219.684
218.42
220.735
220.375
217.526
226.36
207.01
223.79
223.79
136.06
205.81
205.81
205.81
205.81
190.61
181.3
206.01
238.874
238.87
200
200
200.7
207.14
207.777
208.509
207.3

382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440

C9H12
C9H12
C9H12
C9H12
C9H16
C9H18
C9H18
C9H18
C9H18
C9H18
C9H18O
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
C9H20
C9H20
C9H20
C9H20O
C9H20S
C9H20S
C9H20S
C9H20S
C9H20S
C10H8
C10H8
C10H14
C10H14
C10H14
C10H14
C10H14

p-ethyltoluene
1,2,3-trimethylbenzene
1,2,4-trimethylbenzene
mesitylene
1-nonyne
1-nonene
butylcyclopentane
propylcyclohexane
c-c-135trimethylcyclohexane
c-t-135trimethylcyclohexane
nonanal
nonane
2-methyloctane
3-methyloctane
4-methyloctane
3-ethylheptane
4-ethylheptane
2,2-dimethylheptane
2,3-dimethylheptane
2,4-dimethylheptane
2,5-dimethylheptane
2,6-dimethylheptane
3,3-dimethylheptane
3,4-dimethylheptane
3,5-dimethylheptane
4,4-dimethylheptane
3-ethyl-2-methylhexane
4-ethyl-2-methylhexane
3-ethyl-3-methylhexane
3-ethyl-4-methylhexane
2,2,3-trimethylhexane
2,2,4-trimethylhexane
2,2,5-trimethylhexane
2,3,3-trimethylhexane
2,3,4-trimethylhexane
2,3,5-trimethylhexane
2,4,4-trimethylhexane
3,3,4-trimethylhexane
3,3-diethylpentane
3-ethyl-2,2-dimethylpentane
3-ethyl-2,3-dimethylpentane
3-ethyl-2,4-dimethylpentane
2,2,3,3-tetramethylpentane
2,2,3,4-tetramethylpentane
2,2,4,4-tetramethylpentane
2,3,3,4-tetramethylpentane
nonyl-alcohol
butyl-pentyl-sulfide
ethyl-heptyl-sulfide
hexyl-propyl-sulfide
methyl-octyl-sulfide
1-nonanethiol
naphthalene
azulene
butylbenzene
m-diethylbenzene
o-diethylbenzene
p-diethylbenzene
1,2,3,4-tetramethylbenzene

6.99802
7.04082
7.04383
7.07436
6.7741
6.95387
6.89935
6.88646
7.09743
7.07274
7.81505
6.9344
6.91191
6.9092
6.90318
6.90489
6.89898
6.88174
6.87635
6.90252
6.89317
6.89385
6.87553
6.88359
6.90164
6.86968
6.8869
6.9003
6.87787
6.8943
6.86574
6.84922
6.83531
6.85417
6.85274
6.87078
6.85163
6.85761
6.89262
6.87166
6.84463
6.85293
6.82876
6.83173
6.7971
6.85961
6.6757
6.23448
6.23448
6.23448
6.23448
6.9839
7.01065
6.7868
6.98317
7.0036
6.9878
6.9982
7.0594

1527.113
1593.958
1573.267
1569.622
1404.7
1435.359
1457.08
1460.8
1460.8
1460.8
2036.854
1429.46
1398.42
1405.8
1399.12
1406.5
1399.8
1363.91
1389.5
1368.72
1375.4
1368
1385.36
1396.9
1382.8
1378.7
1390.2
1376.1
1406.8
1404.3
1375.72
1340.9
1324.049
1389.79
1387.22
1359.09
1368.723
1403.88
1451.245
1383.13
1418
1380.54
1397.483
1374.042
1325.183
1417.473
1276.63
1421.32
1421.32
1421.32
1421.32
1655.6
1733.71
1733.71
1577.965
1575.31
1576.94
1588.31
1690.54

208.921
207.078
208.564
209.578
210
205.535
205.99
207.939
207.93
207.93
227.486
201.82
203.65
204.76
205.41
206.5
207.2
208.21
207.3
207.44
206.8
205.68
209.79
208.4
207.9
210.4
209
208.6
211.4
209.5
211.63
211.35
210.737
212.1
210.22
209.29
214.047
212.56
215.575
212.75
213
210.87
213.703
214.762
216.093
214.705
123.06
205.81
205.81
205.81
205.81
183.7
201.859
201.85
201.378
200.96
200.51
201.97
199.48

441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499

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

1,2,3,5-tetramethylbenzene
1,2,4,5-tetramethylbenzene
1-decyne
decahydronaphthalene,cis
decahydronaphthalene,trans
1-decene
1-cyclopentylpentane
butylcyclohexane
decanal
decane
2-methylnonane
3-methylnonane
4-methylnonane
5-methylnonane
3-ethyloctane
4-ethyloctane
2,2-dimethyloctane
2,3-dimethyloctane
2,4-dimethyloctane
2,5-dimethyloctane
2,6-dimethyloctane
2,7-dimethyloctane
3,3-dimethyloctane
3,4-dimethyloctane
3,5-dimethyloctane
3,6-dimethyloctane
4,4-dimethyloctane
4,5-dimethyloctane
4-propylheptane
4-isopropylheptane
3-ethyl-2-methylheptane
4-ethyl-2-methylheptane
5-ethyl-2-methylheptane
3-ethyl-3-methylheptane
4-ethyl-3-methylheptane
3-ethyl-5-methylheptane
3-ethyl-4-methylheptane
4-ethyl-4-methylheptane
2,2,3-trimethylheptane
2,2,4-trimethylheptane
2,2,5-trimethylheptane
2,2,6-trimethylheptane
2,3,3-trimethylheptane
2,3,4-trimethylheptane
2,3,5-trimethylheptane
2,3,6-trimethylheptane
2,4,4-trimethylheptane
2,4,5-trimethylheptane
2,4,6-trimethylheptane
2,5,5-trimethylheptane
3,3,4-trimethylheptane
3,3,5-trimethylheptane
3,4,4-trimethylheptane
3,4,5-trimethylheptane
3-isopropyl-2-methylhexane
3,3-diethylhexane
3,4-diethylhexane
3-ethyl-2,2-dimethylhexane
4-ethyl-2,2-dimethylhexane

7.0779
7.08
7.1087
6.87529
6.85681
6.96034
6.9414
6.9103
8.20794
6.96375
6.93372
6.92975
6.92234
6.91878
6.91845
6.90922
6.90617
6.89449
6.92146
6.90263
6.93331
6.91326
6.88895
6.89926
6.89758
6.91284
6.88891
6.89288
6.9471
6.88757
6.89294
6.892
6.89424
6.88063
6.88689
6.91593
6.88827
6.88302
6.87507
6.87525
6.87855
6.89454
6.87202
6.87417
6.8399
6.88668
6.86062
6.87583
6.91395
6.88204
6.86861
6.85524
6.86721
6.87113
6.76103
6.88355
6.88347
6.86594
6.89526

1675.43
1672.43
1606.6
1594.46
1564.683
1501.872
1540.6
1538.518
2378.316
1508.75
1472.73
1479.1
1471
1468.4
1477.4
1466.68
1439.6
1462.22
1439.8
1442.5
1450.53
1444.19
1457.6
1465.9
1448.8
1456.9
1446.9
1460.52
1458.7
1449.8
1457.9
1438.2
1448.8
1472.9
1464.2
1455.2
1466.8
1464.9
1446.1
1409.4
1417.4
1411.09
1457.8
1451.7
1440
1433.7
1418.4
1437.3
1411.3
1429.09
1466.8
1435.43
1464.1
1463.4
1441
1490.9
1473.2
1444.4
1416

201.14
201.43
206
203.392
206.259
197.578
198.8
200.833
237.905
195.374
196.38
197.5
198.3
198.5
199.4
200.44
200.7
200
200.4
200.2
199.4
198.27
202.5
201.4
201.3
200.5
203.5
201.9
201.2
202.9
202.2
202.3
201.3
204.5
203.3
202.4
203
205.2
204.4
204.5
203.8
202.63
205
203.6
203
201.9
205.4
203.3
202.3
204.36
205.9
205.49
206.2
204.2
204.7
206.2
204.2
206.4
206

500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558

C10H22 3-ethyl-2,3-dimethylhexane
C10H22 4-ethyl-2,3-dimethylhexane
C10H22 3-ethyl-2,4-dimethylhexane
C10H22 4-ethyl-2,4-dimethylhexane
C10H22 3-ethyl-2,5-dimethylhexane
C10H22 4-ethyl-3,3-dimethylhexane
C10H22 3-ethyl-3,4-dimethylhexane
C10H22 2,2,3,3-tetramethylhexane
C10H22 2,2,3,4-tetramethylhexane
C10H22 2,2,3,5-tetramethylhexane
C10H22 2,2,4,4-tetramethylhexane
C10H22 2,2,4,5-tetramethylhexane
C10H22 2,2,5,5-tetramethylhexane
C10H22 2,3,3,4-tetramethylhexane
C10H22 2,3,3,5-tetramethylhexane
C10H22 2,3,4,4-tetramethylhexane
C10H22 2,3,4,5-tetramethylhexane
C10H22 3,3,4,4-tetramethylhexane
C10H22 24dimethyl3isopropylpentane
C10H22 33-diethyl-2-methylpentane
C10H22 3ethyl-223trimethylpentane
C10H22 3ethyl-224trimethylpentane
C10H22 3ethyl-234trimethylpentane
C10H22 22334-pentamethylpentane
C10H22 22344-pentamethylpentane
C10H22O decyl-alcohol
C10H22S butyl-hexyl-sulfide
C10H22S ethyl-octyl-sulfide
C10H22S heptyl-propyl-sulfide
C10H22S methyl-nonyl-sulfide
C10H22S pentyl-sulfide
C10H22S 1-decanethiol
C10H22S2 pentyl-disulfide
C11H10 1-methylnaphthalene
C11H10 2-methylnaphthalene
C11H16 pentylbenzene
C11H16 pentamethylbenzene
C11H20 1-undecyne
C11H22 1-undecene
C11H22 1-cyclopentylhexane
C11H22 pentylcyclohexane
C11H24 undecane
C11H24O undecyl-alcohol
C11H24S butyl-heptyl-sulfide
C11H24S decyl-methyl-sulfide
C11H24S ethyl-nonyl-sulfide
C11H24S octyl-propyl-sulfide
C11H24S 1-undecanethiol
C12H10 biphenyl
C12H12 1-ethylnaphthalene
C12H12 2-ethylnaphthalene
C12H12 1,2-dimethylnaphthalene
C12H12 1,3-dimethylnaphthalene
C12H12 1,4-dimethylnaphthalene
C12H12 1,5-dimethylnaphthalene
C12H12 1,6-dimethylnaphthalene
C12H12 1,7-dimethylnaphthalene
C12H12 2,3-dimethylnaphthalene
C12H12 2,6-dimethylnaphthalene

6.86128
6.86823
6.86682
6.86721
6.87155
6.86288
6.86148
6.84438
6.8241
6.87685
6.73151
6.83561
6.88124
6.84243
6.85043
6.8294
6.87156
6.81164
6.82154
6.85984
6.8071
6.83149
6.81616
6.79659
6.73273
6.9224
6.06898
6.06898
6.06898
6.06898
6.06898
6.9981
6.9581
7.03592
7.0685
6.97833
7.1376
7.13064
6.96662
6.9548
6.94667
6.9722
6.5271
5.9321
5.9321
5.9321
5.9321
7.0122
7.2454
7.03159
7.07566
7.00605
7.2698
7.2698
7.0493
7.2698
7.0564
7.0527
7.046

1475.8
1458
1455.3
1464.1
1429.3
1473.1
1470.4
1464.03
1443.6
1417.6
1396
1400.55
1377.98
1474.94
1429.2
1457.9
1442.8
1492.7
1432.15
1501.8
1490.1
1435.6
1486.62
1474.89
1423.83
1472.01
1421.32
1421.32
1421.32
1421.32
1421.32
1713.6
1756
1826.948
1840.268
1639.91
1833.8
1687.2
1562.469
1608
1619.11
1569.57
1250
1421.32
1421.32
1421.32
1421.32
1767.4
1998.72
1841.32
1880.73
1805.31
2076
2076
1855
2076
1879
1869
1841

206.8
204.7
205
206.2
204.1
207
207.3
209.06
207.3
206.3
208.7
206.26
207
207.72
206.9
207.6
205.3
209.7
206.38
207.7
210
208.1
208.32
210.6
210.35
134.16
205.81
205.81
205.81
205.81
205.81
177
166.8
195.002
198.395
194.76
198.96
202
189.743
191.6
194.51
187.7
100
205.81
205.81
205.81
205.81
170.4
202.74
185.28
191.41
171.37
210
210
180
210
180
180
180

559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617

C12H12 2,7-dimethylnaphthalene
C12H18 hexylbenzene
C12H18 1,2,3-triethylbenzene
C12H18 1,2,4-triethylbenzene
C12H18 1,3,5-triethylbenzene
C12H18 hexamethylbenzene
C12H22 1-dodecyne
C12H24 1-dodecene
C12H24 1-cyclopentylheptane
C12H24 1-cyclohexylhexane
C12H26 dodecane
C12H26O dodecyl-alcohol
C12H26S butyl-octyl-sulfide
C12H26S decyl-ethyl-sulfide
C12H26S hexyl-sulfide
C12H26S methyl-undecyl-sulfide
C12H26S nonyl-propyl-sulfide
C12H26S 1-dodecanethiol
C12H26S2 hexyl-disulfide
C13H14 1-propylnaphthalene
C13H14 2-propylnaphthalene
C13H14 2ethyl-3-methylnaphthalene
C13H14 2ethyl-6-methylnaphthalene
C13H14 2ethyl-7-methylnaphthalene
C13H20 1-phenylheptane
C13H24 1-tridecyne
C13H26 1-tridecene
C13H26 1-cyclopentyloctane
C13H26 1-cyclohexylheptane
C13H28 tridecane
C13H28O 1-tridecanol
C13H28S butyl-nonyl-sulfide
C13H28S decyl-propyl-sulfide
C13H28S dodecyl-methyl-sulfide
C13H28S ethyl-undecyl-sulfide
C13H28S 1-tridecanethiol
C14H16 1-butylnaphthalene
C14H16 2-butylnaphthalene
C14H22 1-phenyloctane
C14H22 1,2,3,4-tetraethylbenzene
C14H22 1,2,3,5-tetraethylbenzene
C14H22 1,2,4,5-tetraethylbenzene
C14H26 1-tetradecyne
C14H28 1-tetradecene
C14H28 1-cyclopentylnonane
C14H28 1-cyclohexyloctane
C14H30 tetradecane
C14H30O 1-tetradecanol
C14H30S butyl-decyl-sulfide
C14H30S dodecyl-ethyl-sulfide
C14H30S heptyl-sulfide
C14H30S methyl-tridecyl-sulfide
C14H30S propyl-undecyl-sulfide
C14H30S 1-tetradecanethiol
C14H30S2 heptyl-disulfide
C15H18 1-pentylnaphthalene
C15H18 2-pentylnaphthalene
C15H24 1-phenylnonane
C15H28 1-pentadecyne

7.0478
6.9853
7.58877
7.57869
7.6044
7.15544
7.16929
6.97522
6.9743
6.9555
6.99795
7.53986
6.629
5.81251
5.81251
5.81251
5.81251
7.0244
6.9632
7.0594
7.0605
7.02851
7.09303
7.09303
7.0006
7.15674
6.98563
6.9896
6.9743
7.00756
7.41181
5.70756
5.70756
5.70756
5.70756
7.037
4.9631
6.6117
7.0086
7.65632
7.63235
7.63723
7.23227
7.02005
6.996
6.9897
7.013
6.6741
5.61512
5.61512
5.61512
5.61512
5.61512
7.0485
6.9602
7.0743
7.06
7.0245
7.20553

1846
1700.5
2133.55
2133.558
2133.55
2133.55
1771.1
1619.862
1672.2
1681
1639.27
2003.29
1408
1421.32
1421.32
1421.32
1421.32
1817.8
1824.9
1890.8
1895.5
1895.5
1895.5
1895.5
1761.2
1834.4
1674.741
1729.8
1743
1690.67
2003.29
1421.32
1421.32
1421.32
1421.32
1864.9
656.8
1591.4
1812.2
2312.864
2312.86
2312.86
1927.7
1745.001
1779
1799.3
1740.88
1204.5
1421.32
1421.32
1421.32
1421.32
1421.32
1909.2
1878.6
2000
2005.9
1862.6
1972.07

180
188.2
235.68
235.681
235.68
235.68
198
182.271
184.4
187.8
181.835
168.13
116.06
205.81
205.81
205.81
205.81
164.1
153.5
180
180
180
180
180
181.5
195
175.214
177.3
180.9
174.22
168.13
205.81
205.81
205.81
205.81
157.9
26
138.5
174.6
236.261
236.26
236.26
191
170.475
170.2
174.3
167.72
54
205.81
205.81
205.81
205.81
205.81
151.9
139.8
170
170
167.5
188

618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676

C15H30 1-pentadecene
C15H30 1-cyclopentyldecane
C15H30 1-cyclohexylnonane
C15H32 pentadecane
C15H32O 1-pentadecanol
C15H32S butyl-undecyl-sulfide
C15H32S dodecyl-propyl-sulfide
C15H32S ethyl-tridecyl-sulfide
C15H32S methyl-tetradecyl-sulfide
C15H32S 1-pentadecanethiol
C16H26 1-phenyldecane
C16H26 pentaethylbenzene
C16H30 1-hexadecyne
C16H32 1-hexadecene
C16H32 1-cyclopentylundecane
C16H32 1-cyclohexyldecane
C16H34 hexadecane
C16H34O 1-hexadecanol
C16H34S butyl-dodecyl-sulfide
C16H34S ethyl-tetradecyl-sulfide
C16H34S methyl-pentadecyl-sulfide
C16H34S octyl-sulfide
C16H34S propyl-tridecyl-sulfide
C16H34S 1-hexadecanethiol
C16H34S2 octyl-disulfide
C17H28 1-phenylundecane
C17H32 1-heptadecyne
C17H34 1-heptadecene
C17H34 1-cyclopentyldodecane
C17H34 1-cyclohexylundecane
C17H36 heptadecane
C17H36O 1-heptadecanol
C17H36S butyl-tridecyl-sulfide
C17H36S ethyl-pentadecyl-sulfide
C17H36S hexadecyl-methyl-sulfide
C17H36S propyl-tetradecyl-sulfide
C17H36S 1-heptadecanethiol
C18H30 1-phenyldodecane
C18H30 hexaethylbenzene
C18H34 1-octadecyne
C18H36 1-octadecene
C18H36 1-cycopentyltridecane
C18H36 1-cyclohexyldodecane
C18H38 octadecane
C18H38O 1-octadecanol
C18H38S butyl-tetradecyl-sulfide
C18H38S ethyl-hexadecyl-sulfide
C18H38S heptadecyl-methyl-sulfide
C18H38S nonyl-sulfide
C18H38S pentadecyl-propyl-sulfide
C18H38S 1-octadecanethiol
C18H38S2 nonyl-disulfide
C19H32 1-phenyltridecane
C19H36 1-nonadecyne
C19H38 1-nonadecene
C19H38 1-cyclopentyltetradecane
C19H38 1-cyclohexyltridecane
C19H40 nonadecane
C19H40O 1-nonadecanol

7.01555
7.00349
7.0006
7.02359
6.23737
5.53347
5.53347
5.53347
5.53347
7.0612
7.03642
8.29495
7.47511
7.04437
7.02
7.01852
7.02867
6.1586
5.46123
5.46123
5.46123
5.46123
5.46123
7.075
6.9579
7.0509
7.48829
7.03925
7.0319
7.029
7.0143
6.782
5.39727
5.39727
5.39727
5.39727
7.081
7.0693
7.50288
7.50787
7.04518
7.0473
7.0362
7.0022
6.814
5.3364
5.3364
5.3364
5.3364
5.3364
7.096
6.9605
7.0843
7.51711
7.0571
7.063
7.0469
7.0153
6.60769

1781.974
1825.748
1850.2
1789.95
1204.5
1421.32
1421.32
1421.32
1421.32
1951
1904.132
2972.77
2154.7
1843.581
1869.2
1899.242
1830.51
1380
1421.32
1421.32
1421.32
1421.32
1421.32
1990
1935.6
1944.1
2216.2
1877.91
1909.1
1939.7
1865.1
1595
1421.32
1421.32
1421.32
1421.32
2027
1981.6
2360.733
2281.1
1917.9
1947
1976.7
1894.3
1632
1421.32
1421.32
1421.32
1421.32
1421.32
2061
1981.5
2013.9
2336.7
1961.6
1982
2012.2
1932.8
1632

162.582
163.479
167.6
161.38
54
205.81
205.81
205.81
205.81
146
160.318
272.052
185
157.917
156
161.348
154.45
91
205.81
205.81
205.81
205.81
205.81
140
129
153
182
151.53
149
154.5
149.2
85.06
205.81
205.81
205.81
205.81
135
145.5
212.652
180
145.9
141.9
148
143.3
80.06
205.81
205.81
205.81
205.81
205.81
129
117
137.9
177
141.2
135
141.5
137.6
80.06

677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700

C19H40S butyl-pentadecyl-sulfide
C19H40S ethyl-heptadecyl-sulfide
C19H40S hexadecyl-propyl-sulfide
C19H40S methyl-octadecyl-sulfide
C19H40S 1-nonadecanethiol
C20H34 1-phenyltetradecane
C20H38 1-eicosyne
C20H40 1-eicosene
C20H40 1-cyclopentylpentadecane
C20H40 1-cyclohexyltetradecane
C20H42 eicosane
C20H42O 1-eicosanol
C20H42S butyl-hexadecyl-sulfide
C20H42S decyl-sulfide
C20H42S ethyl-octadecyl-sulfide
C20H42S heptadecyl-propyl-sulfide
C20H42S methyl-nonadecyl-sulfide
C20H42S 1-eicosanethiol
C20H42S2 decyl-disulfide
C21H36 1-phenylpentadecane
C21H42 1-cyclopentylhexadecane
C21H42 1-cyclohexylpentadecane
C22H38 1-phenylhexadecane
C22H44 1-cyclohexylhexadecane

5.28246
5.28246
5.28246
5.28246
7.105
7.101
7.52336
7.0577
7.083
7.061
7.1522
6.872
5.23473
5.23473
5.23473
5.23473
5.23473
7.114
6.972
7.114
7.103
7.072
7.14
7.074

1421.32
1421.32
1421.32
1421.32
2094
2042
2386.3
1995.3
2016
2046
2032.7
1699
1421.32
1421.32
1421.32
1421.32
1421.32
2125
2019
2067
2048
2078
2095
2099

205.81
205.81
205.81
205.81
124
130
174
136
128
135
132.1
70.06
205.81
205.81
205.81
205.81
205.81
119
103.1
122
121
129
114
122

www.myChemE.com

relate vapor pressure to


68(10), p65-68, 1989. (Yaws,

range quoted (TMIN and TMAX) -

ion. For important calculations, the


ntal data. For further information,

TMIN
1
99
-20
-33
-119
-150
-180
-210
-119
-111
-45
-13
-91
-48
-128
137
-44
-55
-82
83
-88
-2
-58
-93
-132
-13

TMAX
100
374
101
27
-30
-81
-125
-165
-69
-49
69
97
9
-33
-82
254
59
12
-32
232
-2
136
53
-7
-64
52

5
-181
-16
-70
-61
34
33
-25
-95
-98
-133
-103
-77
-13
25
-93
-129
-28
0
-38
25
-140
-78
-78
-103
-88
-88
29
-36
-149
-3
-13
-153
52
-31
-33
-35
98
-73
-63
17
-48
40
-35
-47
-73
-103
30
-25
-21
0
-143
-94
-3
91
-47
-49
6
-58

136
-152
91
25
38
187
186
83
4
-43
-63
-73
-4
127
162
-31
-83
32
84
85
130
-86
2.6
2.6
-18
16
17
155
82
-72
27
117
-91
131
79
100
0
253
37
47
157
51
106
77
60
37
-21
60
86
114
60
-75
-8
96
221
58
56
135
43

-55
-18
-99
-90
42
17
-43
42
20
-3
-112
-93
50
15
34
-6
125
-48
13
-38
-32
-5
-53
-62
-43
-48
-70
-49
-36
-43
59
-19
0
0
-108
-68
12
0
-26
-25
-37
-38
-58
-32
-78
-73
-35
-12
-26
-58
-68
-30
-77
35
34
49
-81
-73
-76

37
112
-16
-6
177
93
77
197
142
132
-32
-28
250
135
162
105
275
67
127
77
77
120
71
60
77
67
30
8
103
90
131
120
70
70
-25
37
127
101
90
91
75
77
32
1
0
32
90
108
30
14
27
47
2
164
160
127
13
23
20

-82
-73
8
5
110
-18
-16
2
-13
14
19
10
-7
-18
-23
-54
-38
42
27
86
75
-78
-87
-61
0
-12
15
25
20
-6
-13
-4
-2
-13
-10
1
40
-14
-9
19
-31
12
9
11
-20
-17
-16
-33
-13
-20
-18
-43
-33
-55
-29
3
-55
-49
-49

12
17
166
161
246
107
103
137
112
147
141
146
110
112
102
69
87
124
127
182
167
19
7
20
39
51
131
120
103
117
109
120
123
109
113
87
182
100
98
75
77
152
138
141
66
65
63
46
69
62
55
62
78
47
105
71
51
58
58

-53
-63
-48
-40
81
4
2
29
81
41
24
39
7
-50
-57
-13
2
37
55
17
14
-3
20
114
-3
58
53
54
36
31
34
47
47
-23
17
-16
72
52
79
74
67
-8
27
-5
-10
-2
90
-29
-25
-25
-27
-26
-30
-37
-38
-26
-26
-23
-35

52
41
60
72
218
139
137
170
173
173
148
124
123
58
49
29
80
138
133
150
145
125
153
309
117
210
202
204
114
130
112
177
147
97
197
104
208
198
169
185
227
118
87
130
119
130
166
87
92
91
90
90
85
77
77
90
91
94
79

-33
-28
-36
-47
-21
6
-24
94
64
78
-25
-32
-29
-41
-35
26
-24
35
33
13
70
32
40
73
-13
55
28
132
68
6
0
97
97
97
14
-6
57
-3
-12
-3
-9
-10
-9
-3
12
-2
-9
-8
-7
-19
-10
-17
-14
-19
41
60
99
99
99

81
88
78
64
97
105
96
161
156
169
92
83
89
73
81
89
91
157
172
147
153
170
181
226
127
139
191
287
155
136
65
207
207
207
142
118
162
129
113
125
117
116
117
127
155
123
115
117
118
104
115
105
111
106
134
176
203
203
203

59
82
32
0
26
28
32
27
25
15
94
21
21
10
18
13
11
15
15
10
73
19
12
13
12
13
3
10
5
5
6
11
9
10
4
-4
7
7
103
32
57
4
70
106
115
115
115
76
101
75
18
105
72
75
68
43
38
46
48

206
172
187
75
163
166
172
166
170
148
197
158
160
147
158
151
147
152
152
147
169
152
144
145
144
145
133
142
135
135
138
144
142
145
136
125
142
140
133
182
149
109
195
215
231
231
231
229
263
220
179
197
250
255
170
188
181
190
194

46
57
52
49
50
36
41
40
78
80
33
39
33
33
32
32
30
24
29
24
27
26
26
29
26
24
27
25
28
29
23
18
16
25
27
22
20
27
31
23
30
25
26
21
13
27
90
129
129
129
129
93
87
160
62
61
63
63
80

191
205
198
193
223
174
185
186
164
166
185
179
171
172
170
171
169
160
168
160
163
162
165
168
163
163
166
161
169
168
161
154
151
166
167
159
158
169
175
162
174
165
169
161
150
170
214
258
258
258
258
251
250
278
213
211
213
214
236

75
74
78
68
61
54
60
59
52
58
52
52
50
50
50
48
43
48
43
44
45
46
45
47
44
46
42
46
44
43
45
42
44
46
45
44
46
44
42
35
37
37
43
44
44
42
37
41
36
39
44
40
43
45
45
47
46
40
34

228
227
246
228
219
199
210
211
209
203
196
197
194
194
195
192
185
193
184
187
187
188
190
192
188
189
186
191
186
188
190
185
188
193
191
187
192
190
187
177
179
177
189
189
190
184
180
185
175
181
191
185
190
192
197
196
193
185
175

45
44
43
43
39
44
44
41
41
35
35
34
27
45
37
42
40
47
40
49
47
38
47
44
38
103
143
143
143
143
143
109
128
108
105
80
125
80
72
78
78
75
120
155
155
155
155
124
70
120
118
129
148
148
150
148
150
155
150

194
190
189
190
183
193
192
190
188
177
184
176
165
195
182
191
185
201
186
200
200
185
200
197
190
230
285
285
285
285
285
271
298
278
274
237
270
267
222
234
235
226
243
309
309
309
309
290
272
292
291
269
310
310
313
310
320
315
310

150
96
146
46
145
178
113
89
95
94
91
138
134
166
166
166
166
138
153
155
160
196
192
192
112
120
105
112
111
107
202
177
177
177
177
151
139
145
127
66
174
174
145
119
126
126
122
130
187
187
187
187
187
164
175
185
190
142
140

310
258
247
218
246
300
288
244
256
257
247
214
307
333
333
333
333
308
328
335
335
312
303
303
279
308
264
276
278
267
304
355
355
355
355
325
292
291
298
248
282
282
326
283
296
298
286
264
376
376
376
376
376
341
357
360
370
316
349

134
141
141
136
230
196
196
196
196
176
155
86
172
147
154
154
149
145
204
204
204
204
204
188
196
168
184
159
168
167
161
191
212
212
212
212
198
181
134
196
171
180
179
172
201
220
220
220
220
220
209
215
193
208
183
192
191
184
274

302
314
316
304
339
397
397
397
397
356
333
277
367
319
330
333
321
190
416
416
416
416
416
370
383
349
384
335
346
349
337
383
434
434
434
434
384
363
298
400
350
361
364
352
385
452
452
452
452
452
397
407
377
416
364
375
378
366
395

227
227
227
227
219
205
219
193
203
203
198
219
233
233
233
233
233
229
235
216
215
213
227
224

468
468
468
468
409
390
431
378
388
392
379
406
484
484
484
484
484
421
429
403
401
404
415
416