Supplemental Table: Properties of Pure Species

Vapor pressure (P sat ) by the Antoine Equation: ln P sat /kPa = A

B
t/ C + C

Latent heat of vaporization at the normal boiling point (
Hn ), and normal boiling point (tn )

Name

Formula

Acetone
Acetic acid
Acetonitrile*
Benzene
iso-Butane
n-Butane
1-Butanol
2-Butanol*
iso-Butanol
tert-Butanol
Carbon tetrachloride
Chlorobenzene
1-Chlorobutane
Chloroform
Cyclohexane
Cyclopentane
n-Decane
Dichloromethane
Diethyl ether
1,4-Dioxane
n-Eicosane
Ethanol
Ethylbenzene
Ethylene glycol*
n-Heptane
n-Hexane
Methanol
Methyl acetate
Methyl ethyl ketone
Nitromethane*
n-Nonane
iso-Octane
n-Octane
n-Pentane
Phenol
1-Propanol
2-Propanol
Toluene
Water
o-Xylene
m-Xylene
p-Xylene

C3 H6 O
C2 H4 O2
C2 H3 N
C6 H6
C4 H10
C4 H10
C4 H10 O
C4 H10 O
C4 H10 O
C4 H10 O
CCl4
C6 H5 Cl
C4 H9 Cl
CHCl3
C6 H12
C5 H10
C10 H22
CH2 Cl2
C4 H10 O
C4 H8 O2
C20 H42
C2 H6 O
C8 H10
C2 H6 O2
C7 H16
C6 H14
CH4 O
C3 H6 O2
C4 H8 O
CH3 NO2
C9 H20
C8 H18
C8 H18
C5 H12
C6 H6 O
C3 H8 O
C3 H8 O
C7 H8
H2 O
C8 H10
C8 H10
C8 H10

Parameters for Antoine Eqn.

A
B
C
14.3145
15.0717
14.8950
13.7819
13.8254
13.6608
15.3144
15.1989
14.6047
14.8445
14.0572
13.8635
13.7965
13.7324
13.6568
13.9727
13.9748
13.9891
14.0735
15.0967
14.4575
16.8958
13.9726
15.7567
13.8622
13.8193
16.5785
14.2456
14.1334
14.7513
13.9854
13.6703
13.9346
13.7667
14.4387
16.1154
16.6796
13.9320
16.3872
14.0415
14.1387
14.0579

2756.22
3580.80
3413.10
2726.81
2181.79
2154.70
3212.43
3026.03
2740.95
2658.29
2914.23
3174.78
2723.73
2548.74
2723.44
2653.90
3442.76
2463.93
2511.29
3579.78
4680.46
3795.17
3259.93
4187.46
2910.26
2696.04
3638.27
2662.78
2838.24
3331.70
3311.19
2896.31
3123.13
2451.88
3507.80
3483.67
3640.20
3056.96
3885.70
3358.79
3381.81
3331.45

228.060
224.650
250.523
217.572
248.870
238.789
182.739
186.500
166.670
177.650
232.148
211.700
218.265
218.552
220.618
234.510
193.858
223.240
231.200
240.337
132.100
230.918
212.300
178.650
216.432
224.317
239.500
219.690
218.690
227.600
202.694
220.767
209.635
232.014
175.400
205.807
219.610
217.625
230.170
212.041
216.120
214.627

Temp. Range
C

Hn
kJ/mol

tn
C

26 77
24 142
27 81
6 104
83 7
73 19
37 138
25 120
30 128
10 101
14 101
29 159
17 79
23 84
9 105
35 71
65 203
38 60
43 55
20 105
208 379
3 96
33 163
100 222
4 123
19 92
11 83
23 78
8 103
56 146
46 178
2 125
26 152
45 58
80 208
20 116
8 100
13 136
0 200
40 172
35 166
35 166

29.10
23.70
30.19
30.72
21.30
22.44
43.29
40.75
41.82
39.07
29.82
35.19
30.39
29.24
29.97
27.30
38.75
28.06
26.52
34.16
57.49
38.56
35.57
50.73
31.77
28.85
35.21
30.32
31.30
33.99
36.91
30.79
34.41
25.79
46.18
41.44
39.85
33.18
40.66
36.24
35.66
35.67

56.2
117.9
81.6
80.0
11.9
0.5
117.6
99.5
107.8
82.3
76.6
131.7
78.5
61.1
80.7
49.2
174.1
39.7
34.4
101.3
343.6
78.2
136.2
197.3
98.4
68.7
64.7
56.9
79.6
101.2
150.8
99.2
125.6
36.0
181.8
97.2
82.2
110.6
100.0
144.4
139.1
138.3

Based primarily on data presented by B. E. Poling, J. M. Prausnitz, and J. P. OConnell,

The Properties of Gases and Liquids, 5th ed., App. A, McGraw-Hill, New York, 2001.
*Antoine parameters adapted from Gmehling et al. See footnote 2, p. 764.
Antoine parameters A are adjusted to reproduce the listed values of t .
n