Individual Species used in Table of Simple Organic Compounds

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Errors in ΔHin Kcal/mol

No Compound PM7

PM6

B3LYP

PM3

HF 6-31G(d)

AM1

MNDO
1

(1-Methylpropyl) benzene

2.7 4.8 -2.4 4.0 2.2 2.7 8.9
2

(1-Methylpropyl) urea

2.8 4.1 2.1 8.7 -8.7 15.0 18.0
3

(1a,2a,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrile

-1.9 -3.4 8.9 3.1 -1.1 -5.8 3.5
4

(1a,2b,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrile

-2.5 -4.0 8.3 2.9 -1.6 -6.1 3.5
5

(2-Methylpropyl) benzene

2.4 4.0 -2.9 3.8 1.4 2.6 8.8
6

(2.2)Metaparacyclophane

-8.9 -5.7 2.0 2.7 11.2 1.4 10.4
7

(2a,4a,6b)-2,4,6-Trimethyl-1,3-dioxane

-4.7 -8.3 -9.1 4.4 -12.3 -5.8 3.4
8

(C2H5S)2

0.0 -1.4 -13.4 6.8 -13.2 1.1 -9.1
9

(Dimethylamino) acetonitrile

0.9 2.3 3.3 -0.4 -5.9 4.9 4.2
10

(E)-1,3,5-Hexatriene

-0.1 1.1 -1.7 4.9 4.0 2.7 2.4
11

(E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzene

-6.5 -7.6 28.3 13.5 29.6 13.4 142.3
12

(E)-2,2,5,5-Tetramethyl-3-hexene

3.1 4.1 2.4 6.0 11.3 11.1 29.0
13

(E)-2-Butenenitrile

-0.5 1.5 3.3 6.5 -2.2 1.4 0.2
14

(E)-3,4-Di-tert-butyl-3-hexene

-7.1 -6.2 8.4 -7.0 21.0 8.6 59.4
15

(E)-3-(Methylamino)-1-phenyl-but-2-enone

1.0 1.9 1.9 8.5 0.3 13.1 16.0
16

(Trifluoromethyl)-benzene

1.4 -0.4 -5.2 3.8 -4.6 4.4 11.1
17

(Z)-1,3,5-Hexatriene

0.0 1.0 -0.8 4.5 5.0 2.9 2.7
18

(Z)-2,2,5,5-Tetramethyl-3-hexene

0.8 0.1 4.1 1.0 10.8 9.3 30.0
19

(Z)-2-Butenenitrile

1.2 3.2 4.4 8.7 -0.4 3.5 2.1
20

1,(1-Piperidinyl) cyclohexanecarbonitrile

4.1 0.1 8.0 1.6 -5.1 0.9 16.8
21

1,1 Dimethoxy ethene

3.2 -0.2 -2.9 -1.0 -2.5 0.1 0.6
22

1,1',2,2'-Tetranitro-1,2-dichloroethane

-8.4 -2.0 1.5 -7.6 53.3 35.2 94.0
23

1,1',2-Trichloro-1,2,2'-trifluoroethane

-4.3 -1.3 3.0 9.3 2.1 22.3 22.8
24

1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzene

4.6 9.1 9.6 14.0 16.2 21.4 56.5
25

1,1'-Diadamantylketone

6.8 0.0 21.1 4.5 7.2 -5.4 45.9
26

1,1'-Diphenyl-1,1'-bicyclohexyl

-2.3 2.9 10.5 6.9 14.4 2.5 53.3
27

1,1'-Diphenyl-1,1'-bicyclopentyl

-2.5 0.4 13.5 1.9 17.0 4.4 38.2
28

1,1,1,2-Tetraphenylethane

2.5 11.5 11.4 20.1 14.8 23.1 44.2
29

1,1,1-Ethanetricarbonitrile

-6.2 -4.7 13.1 3.4 -13.8 -8.2 -4.8
30

1,1,1-Tribromoethane

0.8 1.2 1.5 5.6 1.0 5.7 0.7
31

1,1,1-Trichloroethane

-0.8 -1.3 -1.0 3.6 -1.7 3.5 4.0
32

1,1,1-Tricyano-2-phenyl ethane

-4.6 -2.9 11.6 7.7 -16.9 -6.0 1.1
33

1,1,1-Trifluoroethane

3.2 1.4 -1.4 5.7 0.2 5.3 13.6
34

1,1,2,2-Tetra-t-butylethane

4.4 0.2 18.4 -1.4 37.5 32.8 130.1
35

1,1,2,2-Tetrachloroethane

1.1 2.8 -1.9 7.1 -7.0 -2.3 -0.6
36

1,1,2,2-Tetraphenylethane

1.7 9.9 6.2 14.8 6.9 16.1 28.0
37

1,1,2-Trifluoro-2-chloroethyl perfluoroheptylether

3.9 3.7 2.8 22.9 -13.8 39.8 83.4
38

1,1,4-Trimethylcycloheptane

2.6 1.6 4.0 1.5 9.7 -4.4 23.8
39

1,1-Bis(difluoroamine)heptane

1.6 0.8 -7.0 4.8 8.9 -5.3 10.2
40

1,1-Diacetoxyethane

-2.1 -2.6 -8.7 7.7 -22.0 5.5 13.9
41

1,1-Dibromoethane

2.1 2.3 -0.8 5.1 -1.0 4.2 -0.6
42

1,1-Dibutoxypropane

-2.4 -3.9 -8.6 -1.0 -11.9 -16.3 3.3
43

1,1-Dichloro-1-nitro-propane

4.7 5.7 4.4 9.4 15.5 17.4 34.9
44

1,1-Diethoxy ethane

-4.3 -7.7 -5.6 2.4 -8.1 -9.2 1.9
45

1,1-Difluoroethane

5.5 1.7 -1.3 6.8 2.4 0.2 5.3
46

1,1-Dimethoxy-2-butene

-4.7 -7.4 -3.9 -5.5 -5.7 -13.2 -7.4
47

1,1-Dimethoxy-butane

-0.7 -4.1 -6.9 -2.8 -8.4 -14.6 -0.4
48

1,1-Dimethoxy-trimethylamine

-4.4 -6.5 -1.4 -4.7 -6.5 -2.6 2.1
49

1,1-Dimethoxycyclopentane

-8.3 -12.9 5.9 -6.8 4.8 -8.9 -4.0
50

1,1-Dimethyl cyclopentane

0.5 -0.6 0.1 -2.9 4.1 -4.0 3.0
51

1,1-Dimethylhydrazine

-7.2 -7.5 4.5 -4.9 4.4 3.9 -1.9
52

1,1-Dimethylpropyl acetate

3.4 2.0 -0.1 16.7 -2.8 16.7 31.4
53

1,1-Diphenyl-1,1-bicyclooctyl

-6.0 -1.4 20.0 6.5 28.7 -1.6 73.1
54

1,1-Ethanediol, 2-phenyl-, diacetate

-2.2 -2.8 -8.0 9.3 -24.9 5.2 16.3
55

1,10-Decanediol

-9.4 -8.9 -2.3 -13.8 -8.8 -37.8 -18.6
56

1,2,2,2-Tetrachloroethane

-4.4 -2.3 -5.0 0.5 -9.0 -4.3 -2.1
57

1,2,2-Trichloroethane

1.7 2.5 -4.5 7.7 -8.0 -1.8 -2.4
58

1,2,3,4,5,6,7,8-Octahydro-anthracene

-4.0 -6.5 -2.0 -6.5 0.3 -12.8 -9.7
59

1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene

-5.7 -6.0 -2.5 -6.2 4.8 6.1 -0.6
60

1,2,3,4-Tetrachlorobenzene

-0.9 2.6 1.8 6.4 -1.1 5.4 6.8
61

1,2,3,4-Tetrahydro-N-methylcarbazole

3.5 0.2 -3.0 -0.2 0.1 16.1 0.6
62

1,2,3,4-Tetrahydrophenanthrene

0.7 -0.5 -3.6 0.1 0.6 -2.2 -0.3
63

1,2,3,4-Tetrahydroquinoline

-2.8 -4.9 -1.4 -6.0 0.8 -4.4 -5.5
64

1,2,3,4-Tetramethyl benzene

-3.0 -1.8 -3.1 -2.7 5.5 3.5 9.5
65

1,2,3,4-Tetramethylfulvene

-3.8 -5.1 -3.8 -2.6 4.0 10.3 0.1
66

1,2,3,5-Tetrachlorobenzene

0.3 1.8 1.7 7.8 -2.0 6.6 7.0
67

1,2,3,5-Tetramethyl benzene

-2.6 -2.0 -1.8 -1.9 6.6 5.3 8.5
68

1,2,3,6,7,8-Hexahydropyrene

-0.1 -4.0 11.0 -0.3 11.2 -5.3 -0.5
69

1,2,3,6-Tetrahydropyridine

3.7 0.8 11.9 -0.1 10.8 -0.3 -1.0
70

1,2,3-Trichlorobenzene

-2.8 -0.1 -2.6 3.7 -4.2 2.1 2.4
71

1,2,4,5-Tetrachlorobenzene

-0.1 1.5 0.8 7.3 -3.1 5.8 6.2
72

1,2,4,5-Tetrafluorobenzene

-2.2 -3.2 -3.9 7.0 5.8 2.3 -4.7
73

1,2,4,5-Tetramethylbenzene

-2.6 -1.0 -3.8 -1.3 4.2 4.1 6.6
74

1,2,4-Trichlorobenzene

-3.2 -2.5 -4.4 3.6 -6.7 1.7 1.0
75

1,2,6,7-Cyclodecatetraene

-23.3 -23.8 2.6 -5.4 10.5 -13.7 -17.3
76

1,2-Benzenediol

5.2 7.4 10.8 2.4 11.7 2.7 -7.1
77

1,2-Butadiene

-9.8 -8.7 -2.2 -0.9 5.2 -1.7 -5.3
78

1,2-Dibromotetrafluoroethane

-4.3 4.5 -4.0 -5.3 -2.2 23.7 16.7
79

1,2-Dibutylhydrazine

-4.8 -6.0 1.3 -4.3 -1.7 -6.1 0.1
80

1,2-Dichloro 1,1,2,2-tetrafluoroethane

-0.5 -2.4 3.6 12.5 3.2 26.4 27.9
81

1,2-Dichlorobenzene

-2.0 -0.3 -4.5 3.2 -4.5 1.2 0.6
82

1,2-Diethoxy ethane

-3.1 -5.6 -3.6 -3.1 -4.0 -13.6 -2.9
83

1,2-Difluorobenzene

-0.9 -0.7 -4.8 4.4 1.9 1.1 -3.0
84

1,2-Diisopropyldiazene

-1.9 -0.6 0.0 -2.7 -1.5 4.3 -4.8
85

1,2-Dimethoxyethane

-4.6 -7.7 -4.1 -7.0 -5.1 -18.4 -11.4
86

1,2-Dimethyl cyclopentene

-4.3 -4.9 -1.9 -7.1 3.0 -3.8 -8.3
87

1,2-Dimethyl cyclopropene

-3.0 -6.1 0.0 0.2 8.0 8.1 -7.2
88

1,2-Dimethylcyclobutene

-3.3 -7.8 -4.4 -3.7 2.3 7.1 -13.5
89

1,2-Dimethylhydrazine

-8.5 -8.8 3.5 -6.5 3.3 -0.5 -7.0
90

1,2-Propanediamine

1.5 -0.3 7.5 -0.5 3.9 -6.3 2.2
91

1,2-cis-Dimethyl cyclopentane

0.7 0.0 -1.2 -3.0 2.8 -6.5 -1.4
92

1,2-naphthalenediol

-4.3 2.9 4.3 0.3 5.5 1.1 -6.3
93

1,2-trans-Dimethyl cyclopentane

0.0 -0.6 -1.6 -3.3 2.4 -6.6 -1.9
94

1,3 Dioxan

-5.7 -10.5 -4.6 -7.0 -7.4 -21.1 -13.5
95

1,3,5,7,9-pentaoxecane

-12.8 -29.7 -9.8 -17.6 -22.4 -54.6 -22.7
97

1,3,5,7-Tetroxane

-7.2 -19.4 -7.9 -14.8 -16.3 -40.4 -20.2
98

1,3,5-Triazine

-4.5 5.1 -2.3 -7.8 -15.3 4.0 -14.0
99

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione

3.3 3.9 1.6 10.1 -26.0 37.8 15.8
100

1,3,5-Trichlorobenzene

-2.7 -4.0 -4.8 4.5 -7.5 2.7 1.0
101

1,3,5-Tricyanobenzene

-1.0 1.8 7.4 10.8 -18.7 -1.8 -5.0
102

1,3,5-Trimethyl cyclohexane

4.8 4.3 -0.6 2.9 2.9 -2.6 12.5
103

1,3,5-Trimethyl-s-triazine-2,4,6-trione

8.4 12.0 -5.2 19.3 -29.0 63.5 38.1
104

1,3,5-Trioxane

-7.2 -13.0 0.4 -8.1 -8.3 -29.9 -19.0
105

1,3,5-Tris(t-butyl) pentalene

9.5 7.4 14.2 17.7 21.6 41.4 52.1
106

1,3-Benzodithiole-2-thione

1.2 9.3 -15.6 14.9 -14.0 -6.7 -14.6
107

1,3-Butadiene

1.2 2.5 0.3 5.0 5.3 3.9 2.9
108

1,3-Cyclohexadiene

-4.4 -5.7 0.2 -5.1 3.8 -8.0 -11.0
109

1,3-Cyclohexanedione

-9.6 -10.2 -0.9 -8.1 -7.3 -6.6 -4.2
110

1,3-Diazine

-6.8 -1.9 -5.5 -9.1 -11.1 -3.2 -12.1
111

1,3-Dichloro-1,1,3,3-tetranitropropane

3.5 9.0 6.2 9.4 51.1 46.2 108.1
112

1,3-Dichlorobenzene

-2.3 -2.6 -5.7 3.4 -6.2 1.4 -0.2
113

1,3-Diethoxypropane

-3.3 -4.7 -7.3 0.2 -8.9 -14.0 -2.5
114

1,3-Difluorobenzene

2.4 1.4 -2.5 10.5 3.7 5.9 2.9
115

1,3-Dihydro isobenzofuran

-5.0 -7.6 -3.8 -6.0 -3.7 -7.5 -13.2
116

1,3-Dioxalane

-6.4 -10.9 -2.4 -10.4 -5.7 -21.8 -20.9
117

1,3-Dioxolane-2-phenyl

-6.6 -9.8 -3.1 -4.7 -8.3 -13.9 -12.2
118

1,3-Dithiolan-2-thione

9.7 15.9 -12.9 17.6 -13.0 -2.7 -11.4
119

1,3-Naphthalenediol

-1.0 -1.6 5.5 1.7 5.6 2.8 -6.1
120

1,3-Propanediol

-0.3 -0.1 9.8 -2.8 6.2 -16.6 -12.6
121

1,3-cis-Dimethyl cyclopentane

-0.7 -1.6 -2.5 -4.1 1.5 -7.5 -3.4
122

1,3-dimethyl-2-nitroso-benzene

-11.3 -7.0 -4.3 -8.5 0.3 -16.8 -15.2
123

1,4 Butandiol

-2.1 -2.0 7.6 -4.4 3.5 -19.8 -13.5
124

1,4,5,6-Tetrahydropyrimidine

-0.8 0.1 4.5 -3.6 0.8 -0.6 -4.7
125

1,4,5,8-Tetramethynaphthalene

-4.0 -4.2 -2.6 -2.5 8.8 5.6 11.8
126

1,4,9,10-Anthracenetetrone

-4.3 -0.1 -5.5 -11.2 -19.5 8.3 -12.2
127

1,4-Cyclohexadiene

-5.0 -6.3 0.9 -5.6 3.2 -8.1 -10.7
128

1,4-Cyclohexanedione

-9.5 -9.3 -0.1 -8.5 -7.4 -7.2 -5.1
129

1,4-Dibromobutane

1.4 1.1 -3.7 5.8 -7.4 -1.5 -2.9
130

1,4-Dichlorobenzene

-1.5 -1.7 -4.9 4.2 -5.6 2.0 0.4
131

1,4-Dicyclopropylbuta-1,3-diyne

5.2 -2.8 4.7 4.0 8.2 6.9 -16.6
132

1,4-Difluorobenzene

2.4 2.0 -2.4 9.9 4.1 5.2 2.2
133

1,4-Dihydroxy-9,10-anthracenedione

-14.5 4.1 -5.8 4.6 -6.7 17.0 13.9
134

1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-ene

-7.3 -11.1 4.7 -7.9 1.7 -1.9 -8.4
135

1,4-Dioxan-2,5-dione

-1.0 -3.3 -7.5 -10.2 -18.6 -6.1 -8.1
136

1,4-Dioxane

-6.6 -10.1 -4.9 -7.7 -7.0 -19.6 -13.8
137

1,4-Naphthalenediol

-1.1 0.3 4.4 1.2 5.3 1.3 -6.9
138

1,4-Pentadiene

-2.9 -1.9 0.6 1.2 3.8 -0.6 -0.7
139

1,5 Pentandiol

-3.2 -3.0 6.0 -5.9 1.6 -22.7 -14.3
140

1,5-Cyclooctadiene

0.0 -0.9 13.4 3.1 17.2 -3.3 -2.4
141

1,5-Hexadiene

-2.9 -1.7 0.1 0.9 3.0 -2.4 -0.6
142

1,6-Hexanediol

-4.2 -4.1 4.6 -7.2 -0.3 -25.5 -14.9
143

1,7-Heptanediol

-4.9 -4.7 3.4 -8.3 -1.9 -28.0 -15.3
144

1,8-Paracyclophane

-3.0 2.3 4.9 4.8 9.1 -2.4 16.1
145

1,cis-3-Pentadiene

-0.7 0.4 -0.8 1.9 5.0 1.8 0.9
146

1,trans-3-Pentadiene

-0.3 1.0 2.2 3.1 7.3 2.4 1.0
147

1-(Dimethylamino)-2-propanone

-4.5 -3.3 -2.0 -7.0 -5.5 5.2 5.7
148

1-(tert-Butyldioxy)-3-propoxy-2-propanol

-4.8 5.4 1.2 10.7 0.4 6.4 27.5
149

1-Adamantanecarboxamide

4.6 0.6 11.8 6.9 0.9 -2.0 23.9
150

1-Adamantol

-1.0 -6.6 8.6 -2.2 4.0 -11.6 8.4
151

1-Adamantyl cyanide

2.6 -2.0 9.0 4.2 -4.0 -7.1 13.2
152

1-Adamantyl isocyanide

-0.8 -2.7 9.2 13.5 -6.9 6.7 32.5
153

1-Bromo-1,1-difluoroethane

-0.3 3.4 -2.3 3.1 1.0 16.0 11.7
154

1-Bromo-1-chloroethane

0.5 2.9 -4.1 3.4 -4.0 1.8 -1.8
155

1-Bromo-2,2,2-trifluoroethane

2.4 0.5 -2.1 6.7 -4.4 3.9 10.9
156

1-Bromonaphthalene

2.6 1.0 -5.4 7.5 -2.2 5.2 1.0
157

1-Bromopropane

1.4 2.3 -4.0 3.8 -2.3 0.5 -1.5
158

1-Butene

-0.1 1.4 0.6 1.9 5.6 0.6 0.5
159

1-Butoxy-1-tert-butyldioxy-2-propanol

-12.4 1.0 -9.6 7.1 -10.8 0.0 22.4
160

1-Butoxy-3-tert-butyl-2-propanol

-4.8 -5.7 1.2 3.5 -6.3 -9.7 16.5
161

1-Butyne

2.2 1.7 2.7 -3.9 4.7 -2.1 -3.4
162

1-Butynl benzene

4.0 3.3 -0.9 0.0 0.9 -0.5 -7.4
163

1-Chloronaphthalene

2.4 2.9 -3.6 7.0 -0.6 7.0 4.6
164

1-Cyclohexenecarbonitrile

0.8 0.8 5.3 5.0 -2.0 -3.9 -3.3
165

1-Cyclopentenecarbonitrile

-3.0 -2.8 2.5 -0.2 -4.1 -4.6 -8.8
166

1-Decene

-1.1 1.0 -5.3 -1.1 -2.7 -11.0 1.7
167

1-Ethyl cyclopentene

-3.0 -3.3 -1.7 -5.4 2.0 -5.5 -8.0
168

1-Fluoro-3-(trifluoro-methyl)benzene

6.0 3.4 -0.7 11.8 1.2 10.9 16.9
169

1-Fluorononane

6.7 4.6 -3.6 3.1 -1.2 -13.2 2.7
170

1-Heptanethiol

-0.3 0.5 -9.4 -0.1 -9.8 -9.1 -1.4
171

1-Heptene

-0.7 1.1 -3.6 0.3 0.2 -5.3 1.0
172

1-Hexadecene

-2.1 0.6 -8.9 -4.1 -8.7 -22.6 3.0
173

1-Hexene

-0.3 1.3 -2.9 1.0 1.3 -3.3 1.0
174

1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinol

-11.5 -16.1 11.8 -0.9 8.9 4.1 28.1
175

1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinone

-10.3 -14.0 8.9 0.9 4.7 13.5 30.5
176

1-Methoxy cyclohexene

-6.8 -8.7 -5.7 -5.3 -4.2 -11.4 -10.7
177

1-Methyl cyclohexene

6.2 5.4 7.4 4.9 11.0 1.5 2.3
178

1-Methyl cyclopentene

-3.7 -4.5 -1.6 -6.1 2.4 -4.6 -9.3
179

1-Methyl-1-phenylhydrazine

-5.8 -7.3 0.6 -3.6 0.6 7.0 1.1
180

1-Methyl-2-pyrrolidinone

0.4 -0.9 -4.7 -1.6 -8.9 10.0 -0.7
181

1-Methyl-4-(1-methyl-ethenylsulfonyl) benzene

-8.3 -7.3 25.9 14.7 28.1 15.2 142.8
182

1-Methyl-4-(1-methylethyl)-cyclohexene

-2.5 -3.1 2.9 -1.2 7.1 -2.3 8.1
183

1-Methyldiadamantane

1.9 -6.0 8.6 -3.0 4.6 -10.1 21.8
184

1-Methylnorcamphor

1.1 -0.8 1.9 -1.0 -1.2 5.4 8.1
185

1-Naphthoic acid

5.6 5.5 -0.8 7.7 -4.0 6.1 11.4
186

1-Nitroadamantane

9.0 3.2 7.2 7.8 12.8 6.8 41.1
187

1-Nitroso-2-naphthalenol

-6.7 4.5 1.2 3.1 8.5 -4.8 -9.0
188

1-Nitroso-4-naphthalenol

-5.2 -0.4 0.6 -4.2 2.8 -12.2 -18.8
189

1-Nonanol

-1.7 -0.2 -2.4 -5.0 -3.3 -20.9 -6.4
190

1-Norbornylcyanide

2.6 1.1 4.8 4.7 -4.9 0.5 6.3
191

1-Norbornylisocyanide

-3.4 -1.8 3.9 11.1 -8.9 8.7 23.5
192

1-Octanol

-1.1 0.3 -1.3 -4.1 -1.9 -18.5 -6.1
193

1-Octene

-0.8 1.0 -4.2 -0.2 -0.8 -7.3 1.2
194

1-Octyne

1.9 1.6 0.5 -5.4 0.9 -9.3 -2.2
195

1-Phenyl-1,3-butanedione

-2.6 -0.5 -0.6 2.4 -7.1 7.5 6.5
196

1-Phenylethenol

1.8 2.9 5.7 6.4 7.9 6.3 5.9
197

1-Piperidineacetonitrile

3.1 1.7 3.5 -1.3 -8.6 -1.0 -0.2
198

1-Propanone, 2-(diethylamino)-1-phenyl-

0.5 3.3 -0.4 0.9 -4.4 13.9 17.9
199

1-Propanone, 2-(dimethylamino)-1-phenyl-

-1.6 0.7 -2.8 -2.2 -6.9 10.0 11.9
200

1-Propanthiol

0.4 0.9 -6.8 2.1 -5.6 -1.2 -2.0
201

1-Tert-butoxybutane

0.4 -0.4 -3.5 6.4 -1.4 2.3 17.1
202

1-tert-Butoxy-3-propoxy-2-propanol

-8.4 -4.2 3.0 9.1 -4.0 -6.3 17.6
203

11-Decyl heneicosane

1.2 6.8 -13.9 -8.5 -17.1 -44.5 18.7
204

11-n-butyl docosane

2.0 6.9 -10.4 -6.1 -11.6 -35.0 17.5
205

12-Crown-4

-11.5 -21.6 -5.4 -6.6 -14.7 -34.4 -13.2
206

15-Crown-5

-16.3 -27.2 -9.8 -8.3 -22.8 -44.1 -16.5
207

1H-Benzimidazole

8.1 7.7 0.7 4.2 -1.0 23.5 2.3
208

1H-Indazole

5.0 2.0 0.2 7.1 2.5 24.1 0.2
209

1H-Pyrazole

1.9 -0.1 1.4 5.9 3.2 22.6 2.4
210

2(-1-Methylethyl)-phenol

1.0 2.7 3.0 3.8 5.9 3.3 4.7
211

2(1H)-Quinolinone

-1.0 -3.4 -4.1 1.8 -6.9 9.0 2.6
212

2,2',6',2'-Terpyridine

6.5 8.3 -4.2 0.4 -14.1 16.3 -5.8
213

2,2'-Biquinoline

19.4 19.0 3.0 14.5 -1.0 30.3 10.1
214

2,2,3,3-Tetramethyl butane

6.6 7.4 4.4 6.6 11.7 14.0 41.3
215

2,2,3-Trimethyl butane

5.6 6.8 0.9 4.9 7.8 8.5 26.5
216

2,2,3-Trimethyl pentane

4.0 5.6 -0.1 3.0 6.8 5.6 27.3
217

2,2,4-Trimethyl pentane

4.4 5.4 0.3 3.0 7.3 5.8 24.3
218

2,2,4-Trimethyl-3-pentanone

1.0 5.0 0.2 4.2 0.5 9.7 24.3
219

2,2,5,5-Tetramethyl-3-hexanone

3.0 4.7 3.1 7.8 3.4 13.8 39.6
220

2,2,5,5-Tetramethylhexane

7.0 7.9 2.7 6.3 8.5 10.3 37.3
221

2,2,6,6-Tetramethyl piperidine

1.8 -3.9 4.4 -2.3 4.7 8.6 24.2
222

2,2,6,6-Tetramethyl-3,5-heptanedione

-7.3 -5.6 0.1 2.2 -5.5 10.4 36.4
223

2,2,6,6-Tetramethyl-4-heptanone

3.9 3.0 3.2 7.6 3.2 13.5 41.7
224

2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxy

-15.2 -21.5 -3.9 -5.0 -13.7 6.4 23.6
225

2,2,6,6-Tetramethyl-4-piperidinone

-3.2 -10.0 5.9 -3.8 0.7 11.0 25.7
226

2,2-Bipyridyl

-2.7 -0.9 -9.4 -6.6 -14.3 2.7 -8.5
227

2,2-Diacetoxypropane

-1.8 -5.4 -6.6 10.7 -18.2 14.8 28.6
228

2,2-Dimethyl hexane

4.2 5.6 -2.1 2.8 3.5 2.4 18.6
229

2,2-Dimethyl pentane

4.9 6.2 -0.9 3.9 5.0 4.8 18.9
230

2,2-Dimethyl-propanamide

3.4 5.3 4.9 10.0 0.8 10.9 24.8
231

2,3,4,5,6-Pentafluorotoluene

-4.0 -4.4 -3.4 4.6 8.8 3.1 -5.0
232

2,3,4,5-Tetramethylbenzoic acid

-5.1 -4.3 -0.3 -3.5 0.1 3.0 20.4
233

2,3,4,6-Tetramethylbenzoic acid

-6.3 -6.1 0.2 -3.3 0.1 2.8 9.6
234

2,3,4-Trimethyl pentane

6.3 7.5 1.3 4.4 8.0 5.3 23.2
235

2,3,4-Trimethylbenzoic acid

-1.3 -1.0 1.0 -0.5 0.0 4.1 18.4
236

2,3,5,6-Tetramethylbenzoic acid

-5.2 -4.0 0.7 -2.6 0.7 2.9 9.9
237

2,3,5-Trimethylbenzoic acid

-1.8 -1.0 0.3 -0.1 -0.9 4.0 6.3
238

2,3,6-Trimethylbenzoic acid

-4.0 -3.3 0.4 -1.3 -0.8 2.7 6.7
239

2,3-Butanediol, 2,3-dimethyl-, monoformate

5.9 4.8 10.3 12.3 5.0 13.9 39.9
240

2,3-Dihydro-benzofuran

-3.8 -5.2 -5.4 -2.7 -3.4 -0.8 -11.0
241

2,3-Dihydrofuran

-7.8 -10.0 -2.7 -7.6 -0.5 -7.5 -12.6
242

2,3-Dihydrothiophene

-9.3 -10.3 -7.1 -8.4 -5.9 -11.7 -18.0
243

2,3-Dimethyl hexane

3.5 5.7 -2.9 2.3 3.1 -0.5 14.6
244

2,3-Dimethyl pentane

5.2 7.3 -1.0 4.2 5.4 2.9 15.6
245

2,3-Dimethyl phenol

-2.1 -1.3 2.6 -1.8 7.2 2.3 1.9
246

2,3-Dimethyl pyrazine

-5.5 -1.6 -5.0 -9.4 -6.6 1.0 -9.9
247

2,3-Dimethyl quinoxaline

2.6 3.9 -3.1 -2.5 -4.9 12.7 -5.7
248

2,3-Dimethyl-1-butene

0.9 2.0 0.7 3.3 6.6 5.1 8.4
249

2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butane

2.5 8.1 11.9 14.5 20.2 31.3 90.8
250

2,3-Dimethyl-2,3-butanediol

0.8 0.8 14.9 10.4 13.1 8.2 30.0
251

2,3-Dimethyl-2-butanethiol

2.0 -1.5 -1.7 10.8 0.9 8.8 21.8
252

2,3-Dimethyl-2-butene

-3.7 -2.9 -1.2 -5.1 7.2 0.4 3.6
253

2,3-Dimethylbenzoic acid

-0.9 -0.2 0.0 0.5 -2.0 2.9 12.8
254

2,3-Dithiabutane

-1.0 0.1 -13.0 0.8 -12.3 1.4 -9.2
255

2,3-Naphthalenediol

1.7 2.8 4.7 -0.4 6.2 1.4 -9.7
256

2,4,5,7-Tetramethyl-4,5-bis(4-t-butylphenyl) octane

-1.1 9.3 20.6 17.4 30.9 33.9 121.3
257

2,4,5-Trimethyl-acetophenone

-2.9 -1.3 1.1 0.7 4.2 10.5 9.7
258

2,4,5-Trimethylbenzoic acid

-2.6 -2.0 -2.3 0.5 -4.0 3.1 11.3
259

2,4,6-Tribromoaniline

-4.8 -16.2 -1.7 8.0 -5.7 -2.5 -4.8
260

2,4,6-Trimethoxy-s-triazine

-3.2 1.1 -31.0 -11.2 -55.7 27.3 -29.9
261

2,4,6-Trimethyl phenol

-6.1 -4.8 -3.1 -5.7 2.1 -1.4 -3.2
262

2,4,6-Trimethyl-acetophenone

-0.2 0.5 7.7 4.5 9.6 14.3 14.7
263

2,4,6-Trimethyl-benzonitrile

-2.5 -1.7 0.1 6.9 -3.3 6.5 7.0
264

2,4,6-Trimethylbenzoic acid

-5.7 -6.4 -1.2 -1.7 -2.8 2.2 3.7
265

2,4,6-Trimethylbenzonitrile, N-oxide

-12.1 -14.2 -1.3 -3.1 13.3 9.8 15.8
266

2,4,6-Trimethylnitrosobenzene

-14.2 -10.8 -5.6 -10.3 -0.2 -17.0 -15.0
267

2,4,6-Trimethylphenyl isocyanide

-15.3 -10.4 -9.2 3.7 -15.4 5.1 14.2
268

2,4,6-Trinitroanisole

-10.1 -12.5 -15.4 -20.0 15.9 18.1 47.5
269

2,4,6-Trinitrophenetole

-4.7 -6.9 -10.2 -9.2 20.7 27.7 56.7
270

2,4,6-Trinitrotoluene

-2.1 -4.0 -10.2 -9.7 22.8 28.1 61.6
271

2,4-Bipyridyl

-2.1 0.1 -4.6 -5.7 -9.3 1.7 -8.0
272

2,4-Dimethyl 3-pentanone

0.2 4.1 -2.2 2.7 -2.3 4.9 11.3
273

2,4-Dimethyl hexane

3.8 5.9 -2.7 2.0 3.2 0.1 15.1
274

2,4-Dimethyl pentane

4.1 5.8 -0.3 3.2 6.7 2.6 15.2
275

2,4-Dimethyl phenol

-0.7 0.3 3.7 -1.3 8.1 1.9 -1.3
276

2,4-Dimethylbenzoic acid

-1.6 -1.7 -1.8 1.6 -4.8 2.6 8.9
277

2,4-Dinitrotoluene

-0.9 -1.3 -6.5 -4.5 16.8 18.1 48.5
278

2,4-Hexanedione

4.9 6.9 8.4 9.2 3.7 13.4 16.2
279

2,5,8-Trioxanonane

-3.9 -8.6 -5.2 -1.3 -12.3 -21.1 -10.9
280

2,5-Dihydrothiophene

-7.6 -9.6 -6.9 -6.1 -7.0 -8.3 -16.7
281

2,5-Dihydrothiophene sulfone

-7.1 -11.2 31.1 11.2 33.0 14.0 131.5
282

2,5-Dimethyl 2,4-hexadiene

-5.0 -4.6 -2.9 -3.9 5.5 0.7 3.3
283

2,5-Dimethyl hexane

4.0 5.8 -2.8 2.4 2.8 -0.2 13.8
284

2,5-Dimethyl phenol

-1.7 -1.1 3.1 -1.6 7.2 2.6 -0.6
285

2,5-Dimethyl-1H-pyrrole

-2.0 -4.0 0.1 -2.7 4.3 13.8 0.6
286

2,5-Dimethylbenzoic acid

-1.4 -0.6 -2.3 1.8 -4.9 1.9 8.1
287

2,5-Diphenyl-1,5-hexadiene

-9.4 -3.2 0.1 2.8 2.7 3.3 4.8
288

2,6-Diisopropylphenol

1.1 2.7 5.5 4.9 10.0 7.1 16.7
289

2,6-Dimethyl phenol

-0.5 1.1 2.8 -0.1 7.3 3.6 1.0
290

2,6-Dimethyl quinoline

1.1 1.0 -4.3 -0.1 -2.8 9.2 -0.9
291

2,6-Dimethyl-4-heptanone

-0.2 1.4 -3.5 2.8 -4.2 1.7 16.5
292

2,6-Dimethylbenzoic acid

-3.1 -3.0 -0.3 -0.1 -2.5 2.2 3.4
293

2,6-Dimethylbenzonitrile

-1.6 -0.1 -0.6 6.9 -4.7 4.7 5.6
294

2,6-Dimethylnitrobenzene

-2.3 -3.6 -4.7 2.5 10.2 11.3 33.6
295

2,6-Dimethylpyridine

-1.8 -1.1 -3.0 -1.5 -2.1 6.0 -2.8
296

2,6-Diphenyl-1,6-heptadiene

-3.6 -1.6 0.0 3.0 1.8 2.5 6.3
297

2,7-Dimethyl quinoline

0.7 0.3 -4.6 -0.3 -3.2 9.1 -1.1
298

2,7-Dimethylphenanthrene

0.8 0.0 -6.4 1.8 0.2 7.7 5.7
299

2-(Diacetoxymethyl)-5-nitrofuran

0.7 2.3 -12.2 2.2 -17.2 29.1 23.3
300

2-(Diethylamino)-1-phenylethanone

0.7 3.9 -0.7 0.0 -4.7 12.1 11.0
301

2-(Diethylamino)-pentanenitrile

1.6 3.4 3.7 1.8 -6.3 6.7 15.2
302

2-(Dimethylamino)-acetophenone

-0.8 1.4 -3.4 -3.1 -7.7 7.9 6.3
303

2-Adamantol

-1.2 -6.4 9.5 -4.6 5.2 -16.6 6.3
304

2-Adamantone

-4.9 -8.5 1.4 -8.0 -4.6 -12.4 1.4
305

2-Amino-2-phenylacetic acid

2.1 1.6 6.0 0.1 -4.5 -2.6 3.2
306

2-Aminopyridine

-0.1 1.9 1.8 -1.9 -1.7 4.7 -2.5
307

2-Biphenylamine

-0.4 0.5 1.4 2.8 2.3 2.1 3.7
308

2-Bromonaphthalene

1.3 -0.2 -5.9 6.1 -3.4 3.4 -1.1
309

2-Bromopropane

2.2 1.6 -3.5 2.6 -1.2 5.5 2.8
310

2-Butenoic acid

1.4 2.1 3.9 1.8 -0.4 0.7 2.0
311

2-Butenyl p-tolyl sulfone

-3.3 -4.3 29.0 18.5 30.4 18.1 142.4
312

2-Butylamine

3.6 3.2 2.6 2.1 3.7 -0.2 5.0
313

2-Butyne

0.6 0.4 -0.1 -5.0 3.2 -2.8 -9.9
314

2-Chloronaphthalene

-2.7 -3.1 -9.7 1.0 -7.2 0.6 -2.4
315

2-Cyanobutane

2.8 5.1 2.7 8.0 -3.4 1.8 7.2
316

2-Cyanopyridine

0.4 2.1 0.4 -0.1 -9.8 0.8 -6.9
317

2-Cyclohexenecarbonitrile

2.3 2.0 9.3 6.8 -0.1 -2.3 0.3
318

2-Cyclopentenecarbonitrile

3.4 3.3 11.2 6.4 2.4 2.0 1.0
319

2-Ethyl phenol

-0.2 1.7 0.8 1.6 3.9 0.2 -0.6
320

2-Ethyl-1H-imidazole

2.9 2.9 1.5 0.1 -0.5 20.1 0.2
321

2-Ethyl-4,5-dihydro-oxazole

-0.9 -1.2 -3.2 -0.6 -7.3 6.4 -8.5
322

2-Ethylbenzoic acid

1.8 3.0 -1.3 3.2 -5.0 2.2 4.0
323

2-Fluoropropane

-0.3 -1.9 -7.0 2.6 -1.7 -0.4 2.8
324

2-H-Tetrazole

-3.6 0.0 0.4 8.4 -2.3 33.3 -21.9
325

2-Hydroxy-6-methylpyridine

1.3 2.5 1.9 1.4 -0.8 10.7 -5.2
326

2-Isopropyl benzoic acid

1.1 2.4 -0.6 3.1 -4.0 3.2 8.3
327

2-Isopropyl-4-methylphenol

-2.7 -1.8 1.9 -1.6 6.5 2.1 4.9
328

2-Isopropyl-5-methylphenol

-6.7 -5.7 -3.0 -3.3 0.5 -2.0 -0.7
329

2-Isopropyl-6-methyl-pyrocatechol

-8.0 0.5 5.0 -0.8 7.1 1.1 2.2
330

2-Isopropyl-6-methylphenol

-4.2 -2.8 -0.7 -2.2 4.0 1.1 4.8
331

2-Methoxy-3,3-dimethylbutanenitrile

2.4 3.1 4.3 11.5 -4.8 4.3 20.6
332

2-Methoxyethanol

1.2 0.3 4.4 -1.2 1.5 -13.5 -9.7
333

2-Methyl cis-cyclohexanol

-4.5 -5.8 1.1 -2.7 0.7 -13.4 -2.3
334

2-Methyl heptane

2.6 4.8 -5.1 0.6 0.0 -4.5 7.5
335

2-Methyl hexane

2.8 4.9 -4.5 1.1 1.0 -2.5 7.3
336

2-Methyl propanamide

1.6 4.0 1.7 7.2 -2.6 6.6 12.3
337

2-Methyl pyridine

-1.9 -0.5 -3.5 -2.6 -3.0 2.0 -4.0
338

2-Methyl-1-propylamine

1.8 1.9 2.4 2.0 3.2 -1.4 4.3
339

2-Methyl-1H-imidazole

2.3 2.0 1.6 -0.3 0.0 21.2 0.0
340

2-Methyl-1H-isoindole-1,3(2H)-dione

12.3 11.0 -5.0 10.3 -14.7 34.7 9.9
341

2-Methyl-2-butene

-3.7 -2.4 -1.0 -2.3 5.7 -0.1 -0.6
342

2-Methyl-2-pentanethiol

0.7 -2.5 -3.8 8.0 -2.2 4.8 14.2
343

2-Methyl-2-phenyl-1,3-dioxolane

-3.0 -5.1 -0.3 3.7 -5.5 -1.2 0.3
344

2-Methyl-2-propenic acid

3.4 5.1 3.6 4.7 -0.4 4.5 6.4
345

2-Methyl-2-propenyl p-tolyl sulfone

-3.5 -5.8 29.8 20.5 31.9 21.3 146.8
346

2-Methyl-3-pyridinol

0.7 2.4 2.8 -3.3 2.8 2.5 -5.9
347

2-Methyl-4-hydroxyquinoline

-0.7 -0.8 -1.2 -0.4 -3.3 7.4 -6.3
348

2-Methyl-5-hexen-3-yn-2-ol

-4.0 -5.7 5.3 -4.1 4.0 -2.8 -5.7
349

2-Methyl-5-isopropylphenol

-3.8 -2.5 -1.4 -2.7 2.2 -0.4 0.9
350

2-Methyl-6-t-butylaniline

4.3 4.2 8.2 6.5 13.7 10.8 32.1
351

2-Methyl-8-quinolinol

2.2 3.2 -1.2 1.9 -0.8 10.1 -4.3
352

2-Methyl-N-(2-methylpropyl)-1-propanamine

3.1 4.3 1.0 2.6 1.7 2.1 14.8
353

2-Methyl-quinoline

1.6 1.8 -4.9 0.2 -4.1 7.9 -2.4
354

2-Methylpiperidine

4.1 1.8 0.1 -2.5 -0.6 -3.0 -1.4
355

2-Nitro-m-xylene

-1.6 -3.1 -4.7 -1.9 10.2 10.9 22.6
356

2-Nitroadamantane

7.8 2.3 6.9 6.9 12.7 2.5 39.2
357

2-Nitrobutane

4.8 5.2 -3.3 7.1 8.6 10.8 28.9
358

2-Nitrofuran

3.5 2.6 -5.8 -3.6 9.2 21.5 14.7
359

2-Nitroisobutane

6.5 6.1 -1.3 9.8 11.4 18.1 38.5
360

2-Nitroso-1-naphthalenol

-7.5 4.1 0.5 2.6 3.2 -5.6 -10.0
361

2-Nonanone

-3.7 -1.4 -6.6 -3.2 -8.2 -8.1 3.8
362

2-Norbornanone

0.5 -0.9 2.2 -2.4 -0.9 1.7 3.4
363

2-Octanone

2.4 4.6 -0.1 3.2 -1.2 -0.2 9.6
364

2-Octyne

0.3 0.3 -2.9 -6.4 -1.4 -9.8 -10.0
365

2-Oxepanone

0.5 -0.6 0.2 -5.4 -5.3 -4.2 0.3
366

2-Oxo-propanal

-2.9 2.4 -2.3 -9.2 -7.0 -2.2 -6.1
367

2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide

1.7 1.3 -2.4 13.7 11.5 26.5 46.2
368

2-Propenoic acid

3.3 4.7 3.9 3.6 -0.9 2.2 2.8
369

2-Pyridinol

1.9 4.2 1.9 0.9 -1.1 7.1 -6.1
370

2-Pyrrolidinone

-2.6 -4.0 -0.9 -3.1 -6.2 2.7 -4.6
371

2-n-Butyl-2-methylhexanenitrile

-0.4 2.6 0.7 5.6 -6.1 -4.7 24.6
372

2-tert-Butyl-p-cresol

-3.7 -2.3 4.0 0.2 9.6 6.4 17.9
373

2a,4a,6a,6b-Tetrahydrocyclopentapentalene

-0.9 -5.9 14.1 -4.7 11.8 3.0 -5.5
374

3(-1-Methylethyl)-phenol

-0.2 1.0 2.1 1.5 4.5 2.3 2.3
375

3(Dimethylamino) propanenitrile

-5.7 -3.8 -4.0 -6.1 -13.9 -4.4 0.5
376

3(tert-Butyl)-1-propene

-0.6 -3.9 -2.0 9.5 -0.8 6.4 7.3
377

3,3,4,4-Tetraethylhexane

5.8 7.1 9.8 -0.2 21.9 12.1 69.6
378

3,3,4,4-Tetramethyl-2-pentanone

-0.1 2.1 4.3 5.1 6.6 13.5 45.5
379

3,3,4,4-Tetramethylhexane

9.9 11.3 8.6 7.6 17.0 13.8 51.7
380

3,3,4-Trimethyl pentan-2-one

-0.2 2.6 1.1 4.5 2.5 9.3 30.0
381

3,3,5,5-Tetramethyl-1-pyrazoline

-4.1 -6.7 3.6 -6.0 1.1 8.4 -4.2
382

3,3-Diethylpentane

5.2 8.2 0.8 3.7 7.9 3.8 27.5
383

3,3-Dimethyl hexane

5.0 6.7 -0.9 3.6 5.3 3.6 21.4
384

3,3-Dimethyl pentane

5.8 7.4 -0.1 5.3 6.6 5.9 21.2
385

3,3-Dimethyl-2-pentanone

-1.4 1.2 -0.3 1.5 0.7 6.6 21.2
386

3,4,5,6-Tetrahydro-3,3,6,6-tetramethylpyridazine

-12.1 -13.8 5.3 -9.4 4.4 -3.1 -3.3
387

3,4,5,6-Tetramethylphenanthrene

-10.0 -7.7 -7.2 -3.1 5.2 4.3 10.6
388

3,4,5-Trimethylbenzoic acid

-0.3 1.4 -1.5 0.3 -3.3 3.9 11.0
389

3,4-Dihydro-1H-2-benzopyran

-7.9 -10.0 -5.5 -7.5 -5.4 -12.8 -11.7
390

3,4-Dihydro-2H-1-benzopyran

-5.3 -6.2 -6.2 -2.6 -4.6 -5.1 -9.1
391

3,4-Dimethyl hexane

4.4 6.5 -1.0 1.9 5.6 1.4 19.3
392

3,4-Dimethyl phenol

-2.0 -1.6 0.8 -2.3 4.8 0.6 -2.1
393

3,4-Dimethyl-(E,E)-2,4-hexadiene

-7.9 -5.8 -0.9 -3.8 7.4 0.7 -1.8
394

3,4-Dimethyl-(E,Z)-2,4-hexadiene

-9.7 -7.4 -1.7 -5.1 5.3 -1.1 -2.9
395

3,4-Dimethyl-(Z,Z)-2,4-hexadiene

-8.6 -6.1 -0.7 -3.9 5.7 0.5 -0.8
396

3,4-Dimethylbenzoic acid

1.8 3.1 -1.6 2.1 -4.8 3.7 7.9
397

3,5,7,9,11-Pentaoxa-tridecane

-9.1 -22.6 -8.1 -11.7 -21.9 -44.2 -16.3
398

3,5,7,9-Tetraoxyundecane

-1.9 -12.3 -3.3 -5.3 -12.2 -29.6 -13.0
399

3,5-Dimethyl isoxazole

6.2 6.5 -1.4 21.0 3.9 31.6 0.7
400

3,5-Dimethyl phenol

-3.8 -4.4 1.1 -1.8 4.4 1.2 -3.1
401

3,5-Dimethylbenzoic acid

1.6 2.6 -0.9 2.2 -4.3 3.9 6.2
402

3,5-Heptanedione

0.4 3.6 1.8 4.8 -3.2 7.1 11.4
403

3,6-Dithiaoctane

1.7 -1.1 -15.4 3.8 -18.6 -6.2 -17.8
404

3,9-Dimethylbenz[a]anthracene

8.6 7.0 -0.6 10.2 7.4 17.5 14.0
405

3-(2-Furanyl)-2-propenal

3.5 3.5 -3.6 2.1 -1.0 12.4 -2.5
406

3-Aminopyridine

-3.0 -1.8 1.1 -6.4 -0.4 -4.5 -5.2
407

3-Azabicyclo[3.2.2]nonane

-2.1 -7.4 4.8 -7.9 3.4 -16.0 -3.4
408

3-Bromo-3-methyldiazirine

20.5 9.6 2.9 18.0 -0.7 14.1 -3.4
409

3-Bromopropene

0.2 0.3 -0.4 4.3 0.6 1.5 -2.1
410

3-Butenenitrile

0.0 1.7 5.7 6.6 -1.5 0.5 1.5
411

3-Butenyl p-tolyl sulfone

-2.5 -2.9 28.9 20.3 28.9 18.2 145.6
412

3-Chloro-4-methylaniline

-2.9 -2.5 1.7 1.6 1.8 2.4 3.5
413

3-Cyanopyridine

-2.5 0.2 -0.2 -0.2 -10.6 -2.6 -6.8
414

3-Ethyl hexane

3.3 5.9 -2.3 2.3 3.7 -3.0 10.6
415

3-Ethyl pentane

3.5 5.9 -1.9 1.0 4.4 -1.2 10.8
416

3-Ethyl phenol

-1.0 -0.2 1.3 0.3 4.0 -0.3 -1.9
417

3-Ethyl-2,4-pentanedione

-0.5 1.9 3.8 5.1 0.0 9.7 17.4
418

3-Ethyl-2-methyl pentane

5.3 6.6 -0.2 1.3 6.4 1.1 19.1
419

3-Ethyl-3-methyl pentane

6.9 8.6 2.0 4.4 9.1 5.5 26.1
420

3-Ethylbenzoic acid

2.3 4.2 -2.3 2.6 -6.9 1.4 4.7
421

3-Hydroxy-2-methylpyridine

0.2 2.5 2.8 -1.8 2.6 2.9 -6.5
422

3-Hydroxy-6-methylpyridine

-3.3 -1.7 -0.2 -6.7 -0.6 -1.2 -11.1
423

3-Isopropyl benzoic acid

3.7 5.6 -0.7 4.7 -5.3 4.2 11.0
424

3-Isopropyl-2-methylphenol

-5.5 -3.7 -0.4 -5.1 4.4 0.2 5.0
425

3-Methyl cyclopentene

-2.8 -3.5 -1.2 -5.0 2.1 -4.4 -6.0
426

3-Methyl heptane

2.7 5.1 -4.7 0.7 0.7 -4.2 8.6
427

3-Methyl hexane

3.0 5.2 -4.1 1.3 1.8 -2.2 8.4
428

3-Methyl isoxazole

4.7 4.6 -1.9 17.1 3.8 26.4 -1.1
429

3-Methyl pentane

3.3 5.4 -3.5 1.9 2.8 -0.2 8.1
430

3-Methyl pyridine

-2.7 -0.4 -3.2 -4.0 -2.1 -0.8 -4.4
431

3-Methyl-1,2-benzenediol

2.4 4.3 10.2 -0.9 12.3 1.5 -6.6
432

3-Methyl-2,4-pentandione

2.1 4.4 8.2 8.3 2.7 13.3 18.2
433

3-Methyl-2-isopropylphenol

-8.6 -8.2 -2.3 -5.8 2.7 -2.1 4.5
434

3-Methyl-2-pentene

-3.2 -1.3 -2.4 -0.8 5.0 -0.5 2.4
435

3-Methyl-2-phenylbutane-2-ol

-0.2 1.9 4.9 8.3 6.4 6.4 24.8
436

3-Methyl-5-isopropylphenol

-2.0 -1.6 2.2 0.5 5.1 3.1 3.2
437

3-Methyl-5-phenyl isoxazole

11.3 12.1 0.0 26.8 4.5 36.3 6.5
438

3-Methyladamantane

0.3 -7.3 6.0 -5.4 1.8 -14.6 14.9
439

3-Octanone

2.0 5.1 -2.2 3.0 -3.3 -0.9 8.0
440

3-Octyne

1.2 1.3 -2.5 -5.1 -1.1 -8.5 -10.2
441

3-Oxabicyclo[3,2,2]nonane

-2.0 -6.7 0.8 -4.0 0.2 -17.1 -4.9
442

3-Phenyl isoxazole

14.3 14.1 4.5 26.6 9.2 35.2 8.8
443

3-Pyridinol

-0.4 1.9 3.5 -3.7 2.6 -1.2 -8.3
444

3-Quinolinamine

-0.4 -0.5 -1.0 -4.6 -2.1 0.4 -4.7
445

3H-1,2-Benzodithiole-3-thione

0.9 -0.9 -19.7 20.4 -16.2 1.6 -9.3
446

4,4'-Bipyridine

-6.0 -3.0 -4.8 -7.9 -9.8 -2.1 -9.0
447

4,4'-Dimethyl-2,2'-bipyridine

-4.2 -3.4 -8.5 -6.6 -12.3 5.5 -7.1
448

4,4'-Dimethylbiphenyl

-0.5 0.6 -4.0 2.6 1.3 5.5 3.7
449

4,5,9,10-Tetrahydropyrene

5.7 3.5 6.4 6.9 9.5 7.2 3.8
450

4,5-Dihydro-2-methyl oxazole

-1.0 -1.6 -1.9 -1.0 -5.5 8.2 -8.5
451

4,5-Dipropyl-4,5-bis(4-t-butylphenyl) octane

-13.8 -1.5 5.6 5.9 17.1 13.3 107.5
452

4,5-Tetramethylene-1,3-dithiol-2-thione

0.4 5.8 -12.7 13.2 -12.9 -13.7 -17.8
453

4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazine

3.4 10.5 -11.4 4.9 -36.9 43.7 2.9
454

4-(1Methylethyl)-phenol

0.6 2.1 2.6 1.5 5.3 2.3 1.9
455

4-Amino-2(1H)-pyrimidinone

3.7 7.8 3.7 -1.8 -10.9 18.7 -8.8
456

4-Aminobutanoic acid

0.7 0.5 6.3 0.5 -4.0 -6.8 0.7
457

4-Aminopyridine

-3.2 -1.9 1.6 -3.7 -1.0 -1.6 -2.8
458

4-Cyanopyridine

-2.9 -0.5 -0.7 -1.1 -10.4 -3.0 -6.9
459

4-Ethyl phenol

-0.4 1.0 1.4 -0.1 4.3 -0.7 -2.8
460

4-Ethylbenzoic acid

3.8 5.3 -0.6 4.5 -5.5 3.3 6.5
461

4-Heptanone

-2.8 -0.1 -6.2 -1.3 -6.9 -3.8 3.5
462

4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy

-10.3 -17.5 4.7 -0.7 -3.9 3.2 27.6
463

4-Hydroxy-2-methylpyridine

-7.2 -6.5 -2.5 -7.4 -4.9 -2.1 -11.8
464

4-Hydroxy-4-methylpentan-2-one

-9.2 -1.6 6.2 6.4 2.8 6.6 19.9
465

4-Isopropyl benzoic acid

5.0 6.7 0.8 6.3 -4.1 5.8 12.4
466

4-Isopropyl-2-methylphenol

-0.7 1.4 2.0 0.4 5.9 2.6 3.8
467

4-Isopropyl-3-methylphenol

-4.1 -4.0 0.6 -4.6 4.8 0.5 3.4
468

4-Isopropylbenzylidene t-butylamine N-oxide

1.7 1.8 -1.8 14.5 12.3 28.7 52.4
469

4-Methyl 1,2-Benzenediol

1.3 3.2 8.4 -1.2 10.0 0.8 -9.1
470

4-Methyl cyclopentene

-4.3 -5.0 -2.3 -6.6 1.0 -5.9 -6.6
471

4-Methyl heptane

2.5 4.9 -4.8 0.6 0.7 -4.3 8.7
472

4-Methyl pyridine

-3.5 -1.8 -3.9 -4.1 -3.3 -0.7 -4.0
473

4-Methyl-1-(1-methylethyl)-cyclohexene

-2.7 -3.0 -1.2 -3.0 2.3 -5.8 2.8
474

4-Methyl-1-pentene

0.5 1.9 -1.4 2.5 3.1 0.7 6.0
475

4-Methyl-2-hydroxyquinoline

5.2 5.8 1.3 4.9 -1.3 15.9 -0.2
476

4-Methyl-3-isopropylphenol

-3.5 -2.9 0.9 -4.2 5.2 0.8 3.6
477

4-Methyl-quinoline

1.0 2.0 -3.9 0.2 -2.6 6.3 0.2
478

4-Methyldiadamantane

3.9 -4.5 9.2 -1.5 4.6 -9.1 20.5
479

4-Methylphenanthrene

3.4 3.1 -3.3 5.5 4.1 9.4 10.0
480

4-Methylthiazole

2.8 2.9 -4.0 3.7 -2.9 4.3 -4.6
481

4-Nitrocatechol

-6.4 1.6 0.8 -5.3 10.5 6.4 11.5
482

4-Octanone

4.3 7.2 0.4 5.5 -0.7 1.6 10.9
483

4-Octyne

1.7 1.5 -2.1 -4.6 -0.7 -8.0 -9.7
484

4-Phenyl-3-buten-2-one

4.3 5.6 1.2 6.4 1.3 9.3 10.6
485

4-Pyridinol

-6.8 -5.0 -2.5 -8.1 -5.0 -5.6 -12.8
486

4-Quinolinol

-1.1 0.0 -1.5 -1.9 -3.5 2.9 -8.1
487

4-Vinyl cyclohexene

-3.6 -4.4 1.7 -1.9 3.0 -6.9 -3.6
488

5,5-Dimethyl-1,3-dioxane

1.6 -3.2 2.3 1.4 -0.7 -9.4 7.0
489

5,5-Dimethyl-2-phenyl-1,3-dioxane

1.2 -1.1 0.1 6.5 -4.5 -1.4 12.6
490

5,6,7,8-Tetrahydroquinoline

-4.1 -3.9 -3.1 -6.3 -4.3 -5.9 -10.0
491

5,6-Dimethyl chrysene

-2.4 -2.4 -6.3 -0.9 3.7 8.4 13.6
492

5,8-Dihydroxy-1,4-naphthalenedione

-9.9 6.9 3.0 10.9 7.7 22.1 16.0
493

5-Amino-3,4-dimethylisoxazole

2.8 3.1 -0.3 13.1 0.0 24.3 -6.0
494

5-Aminovaleric acid

2.0 2.4 5.5 -0.1 -5.2 -8.9 1.5
495

5-Chloro-8-bromo-8-hydroxyquinoline

3.8 4.5 2.9 8.3 -1.0 13.2 -2.2
496

5-Ethyl-2-methyl-pyridine

0.1 2.2 -0.9 -1.5 0.4 3.4 -1.9
497

5-Methyl isoxazole

3.2 4.3 -2.7 17.9 2.9 27.1 0.0
498

5-Methyl-2,4-hexanedione

2.6 5.3 6.6 7.4 2.1 12.4 17.3
499

5-Methyl-3-phenyl isoxazole

12.7 13.0 1.8 27.3 6.1 37.3 7.5
500

5-Nonanone

-1.8 1.3 -6.1 -0.9 -7.7 -6.3 5.2
501

5-Phenyl isoxazole

6.9 8.6 -2.7 22.3 2.2 30.4 4.4
502

5-Quinolinamine

-1.6 -1.6 -0.4 -4.0 -2.5 1.4 -3.2
503

5-n-butyl docosane

0.7 5.5 -11.8 -7.5 -13.0 -36.4 16.1
504

6,6'-Paracyclophane

2.3 6.6 6.3 6.1 7.9 -6.4 19.6
505

6,7-Benzoquinoline

6.0 6.6 -2.1 2.8 -1.5 9.7 2.3
506

6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-Indene

17.7 17.3 19.3 18.6 23.8 27.7 41.9
507

6-Methyl-2(1H)-pyridinone

-2.9 -5.4 0.7 3.1 -2.2 10.3 5.6
508

6-Methyl-5-hepten-2-one

-0.4 0.8 5.1 3.5 5.1 5.6 11.8
509

6-Methyl-quinoline

1.5 2.1 -3.7 -0.5 -2.3 5.8 -1.6
510

6-Quinolinamine

-1.1 -1.3 -0.8 -4.1 -2.5 1.2 -4.1
511

8-Aminocaprylic acid

-0.2 0.0 4.0 -1.3 -8.0 -14.5 1.8
512

8-Hydroxy-5-nitroquinoline

-0.3 -0.5 -6.3 -4.2 3.8 13.1 17.9
513

8-Methyl-quinoline

0.4 1.5 -5.5 -0.8 -4.0 4.9 -2.0
514

8-Oxatricyclo[3,2,1,0(1,5)]octane

23.8 21.5 30.6 43.3 40.9 36.8 43.9
515

8-Quinolinamine

1.8 2.9 0.6 0.5 0.0 4.5 0.3
516

8-Quinolinol

1.1 2.9 -2.0 0.0 -1.6 5.2 -6.3
517

9,10-Anthroquinone

4.9 7.2 -7.9 4.6 -13.1 11.9 7.4
518

9,10-Dihydro-9,10[1',2']benzanthracene

2.7 3.2 5.1 7.9 7.8 14.7 10.2
519

9,10-Dihydro-9-oxoacridine

4.6 2.1 -1.4 5.4 -3.5 13.9 9.4
520

9,10-Dihydro-phenanthrene

0.0 -0.3 -3.2 0.9 0.6 1.4 1.1
521

9,10-Dimethyl-1,2-benzanthracene

-2.6 -2.6 -6.2 0.5 5.0 8.7 13.3
522

9,10-Dimethylphenanthrene

-0.1 -0.4 -5.7 -0.9 2.4 7.9 13.8
523

9,10-Phenanthroquinone

4.1 7.2 -2.8 -0.8 -6.5 9.9 0.4
524

9,9'-Bi-9H-fluorene

6.0 7.8 1.5 14.5 3.1 27.0 13.6
525

9,9'-Dimethyl-9,9'-bifluorene

-0.3 3.0 1.7 14.4 6.7 34.8 35.7
526

9-Ethyl-9H-carbazole

7.3 5.4 -4.5 6.1 -0.3 25.9 10.5
527

9-Methyl-9H-fluorene

8.0 7.3 0.2 8.7 4.0 15.0 6.8
528

Acenaphthene

1.1 -0.5 -3.8 1.3 1.3 5.1 -4.4
529

Acenaphthylene

10.6 8.8 -1.3 11.4 5.4 19.0 5.4
530

Acetaldehyde

-1.4 1.5 -1.5 -4.5 -0.4 -1.9 -2.6
531

Acetaldoxime

-6.5 -2.0 2.3 2.4 5.2 -3.0 -12.9
532

Acetamide

0.4 1.8 3.2 5.9 -0.7 6.2 9.8
533

Acetic acid

1.1 2.2 1.9 1.3 -1.7 0.3 2.3
534

Acetic anhydride

-3.2 -1.7 -4.7 2.0 -13.4 5.3 4.6
535

Acetone

-3.5 -2.4 -2.3 -1.4 -1.3 2.8 2.5
536

Acetonitrile

0.5 2.8 2.0 5.6 -2.9 1.5 1.5
537

Acetophenone

1.0 2.9 -3.6 2.9 -3.9 5.6 7.2
538

Acetyl acetylene

0.9 0.4 5.1 -6.8 3.4 0.6 -3.3
539

Acetyl bromide

0.5 1.0 -3.1 2.0 -1.4 11.2 2.3
540

Acetyl fluoride

5.5 5.7 0.3 7.7 0.9 7.6 9.9
541

Acetyl-urea

4.6 6.8 9.8 15.6 -5.6 24.6 23.6
542

Acetylacetone

-4.1 -3.1 1.6 0.2 -2.7 6.2 7.7
543

Acetylene

2.8 2.4 7.6 -3.6 9.2 0.4 3.5
544

Acridine

6.2 5.5 -4.8 3.8 -2.5 11.6 -1.3
545

Acrylamine

0.9 3.0 3.3 6.3 -1.7 6.5 8.7
546

Acrylonitrile

-0.3 1.9 3.3 6.0 -2.1 0.8 -0.3
547

Adamantane

3.3 -1.3 3.1 -2.9 2.4 -11.4 5.4
548

Alanine

0.1 -0.3 3.5 -2.0 -5.8 -5.9 0.4
549

Allene

-8.8 -8.1 -0.8 1.4 6.6 0.5 -1.7
550

Allyl

-8.6 -8.7 -1.8 -8.8 -10.5 -9.8 -14.7
551

Amyl-t-butyl ether

0.0 -0.8 -4.3 5.1 -2.6 0.5 17.2
552

Aniline

0.4 0.6 1.7 0.4 3.2 -0.4 0.8
553

Anisole

0.2 0.4 -4.6 2.7 -1.4 1.4 -0.5
554

Anthone

4.2 3.7 -1.6 5.6 -3.1 9.1 6.6
555

Anthracene

5.2 4.3 -5.3 6.3 1.7 7.6 3.5
556

Asparagine

-3.9 -3.4 6.4 0.8 -13.3 -5.6 7.7
557

Aspartic acid

-0.4 -0.4 8.1 -1.4 -11.6 -9.0 3.4
558

Azulene

5.6 2.7 -7.8 7.7 8.1 10.8 -1.5
559

Barbituric acid

-9.5 -10.4 -5.2 -2.3 -26.2 13.9 3.0
560

Benzal diacetate

0.8 1.3 -6.1 11.2 -21.4 9.6 16.1
561

Benzaldehyde

2.7 5.8 -4.5 -1.9 -4.7 -0.2 -0.9
562

Benzamide

4.5 6.3 1.1 8.1 -4.0 8.4 13.8
563

Benzenamine, N-(phenylmethylene)-, N-oxide

-1.8 0.5 2.4 6.6 15.5 21.1 23.1
564

Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxide

-4.5 -4.8 -8.7 4.5 3.2 17.2 19.5
565

Benzene

3.1 4.4 -2.9 3.6 1.4 2.1 1.4
566

Benzenecarbothioamide

-1.3 -7.1 -7.4 6.4 -9.7 -1.2 -2.9
567

Benzenesulfenic acid

-0.7 -1.9 5.7 -7.7 5.7 -9.3 -4.6
568

Benzo[f]quinoline

8.7 8.8 0.6 6.0 1.3 13.1 5.5
569

Benzofuran

6.5 4.8 -3.5 8.6 1.4 17.4 0.5
570

Benzoic acid

4.0 5.4 -1.4 3.8 -6.5 2.0 4.3
571

Benzoic acid, anhydride

8.0 11.3 -5.5 13.5 -16.7 15.5 10.1
572

Benzophenone

3.4 6.7 -3.9 5.2 -5.3 8.3 4.0
573

Benzothiazole

2.8 3.2 -6.6 5.2 -6.3 5.0 -6.8
574

Benzoxazole

7.2 5.7 -6.4 5.0 -7.0 20.4 -5.6
575

Benzoyl bromide

2.7 4.5 -7.2 3.0 -6.0 12.1 0.6
576

Benzoyl chloride

3.2 4.6 -5.2 7.6 -4.7 10.3 2.6
577

Benzyl alcohol

-5.5 -5.2 -2.3 -6.2 -2.5 -13.4 -8.9
578

Benzyl methyl ketone

-5.5 -4.2 -3.7 -2.2 -4.7 0.5 2.0
579

Benzyl methyl sulfide

-1.0 0.1 -10.0 0.4 -9.5 -1.9 -8.5
580

Benzyl methyl sulfone

1.3 -0.6 26.4 20.3 28.4 22.8 144.5
581

Benzylamine

0.1 -0.1 1.7 -1.1 1.5 -4.0 -1.5
582

Beta-caran-3-ol

0.6 -5.8 13.2 4.6 14.2 6.2 16.6
583

Bibenzyl

4.8 6.0 0.7 7.2 3.8 3.5 10.3
584

Bicycle[3.3.1]nonan-9-one -check -3-one

-3.3 -4.9 3.5 -3.9 0.6 -10.3 -1.1
585

Bicyclo(2.1.0)-pentane

-0.4 -5.8 -0.4 0.4 5.3 8.7 -7.2
586

Bicyclo(2.2.2)-octane

0.8 -1.4 1.4 -3.8 3.4 -12.1 -2.4
587

Bicyclo(2.2.2)octan-2-ol

-0.1 -3.4 11.8 0.7 9.5 -11.4 1.5
588

Bicyclo[2.2.1]heptan-7-ol

-0.5 -2.5 7.3 -3.9 5.8 -7.8 0.8
589

Bicyclo[2.2.2]octanone

-4.2 -6.2 2.5 -5.7 -1.2 -9.5 -1.2
590

Bicyclo[3.2.1]octan-2-one

-2.5 -4.2 2.9 -4.5 -0.7 -6.2 -0.1
591

Bicyclo[3.2.1]octan-3-one

-3.5 -6.0 3.5 -4.6 -0.4 -6.3 0.9
592

Bicyclo[3.2.1]octan-8-one

-6.2 -7.8 -1.1 -8.6 -4.1 -10.3 -6.4
593

Bicyclobutane

13.6 7.6 2.1 17.3 9.5 26.2 12.1
594

Bicyclopropyl

-1.4 -5.9 0.9 5.1 5.4 8.6 -2.4
595

Biphenyl

2.1 3.5 -4.4 4.4 -0.8 3.9 2.4
596

Biphenylamine

2.1 1.5 1.2 2.9 3.5 8.2 7.8
597

Biphenylene

5.8 -2.1 -4.9 9.2 3.7 19.7 -5.9
598

Bis(2,2,2-trinitroethyl)-amine

11.1 15.6 -4.1 -6.1 58.3 48.6 131.1
599

Bis(fluoroxy)perfluoromethane

-2.4 -5.3 -0.8 -12.9 14.5 5.3 22.4
600

Bis-(n-perfluoropropyl ether)

7.3 7.7 6.8 8.7 -8.4 29.8 65.6
601

Bis-diethylamine sulfoxide

6.1 10.7 31.5 -3.8 33.0 7.7 65.0
602

Bis-diethylamino disulfide

-5.6 -8.9 3.5 -18.9 3.6 1.8 8.6
603

Bromobenzene

1.0 0.5 -3.7 5.8 -1.9 1.5 -1.4
604

Bromochloromethane

-3.1 0.0 -8.8 -0.2 -8.9 -7.8 -11.6
605

Bromodifluoromethane

4.2 5.8 0.6 2.2 3.5 4.7 0.4
606

Bromoethane

1.2 2.2 -3.5 3.8 -1.4 2.0 -1.9
607

Bromoethylene

-1.8 -1.4 -0.9 5.0 1.2 -0.8 -2.9
608

Bromoform

5.1 8.0 7.2 13.1 5.8 1.9 -1.4
609

Bromomethane

1.6 3.4 -1.3 7.1 0.9 2.9 -1.3
610

Bromopentafluorobenzene

3.2 1.9 5.9 15.2 16.2 11.4 -0.8
611

Bromotrifluoromethane

0.5 4.9 0.0 -2.8 2.1 10.5 8.5
612

Bulvalene

-9.7 -17.8 7.6 -3.1 11.4 -4.6 -16.5
613

Butanal

-1.9 1.5 -3.2 -5.9 -3.1 -6.3 -3.3
614

Butanamide

0.8 3.0 1.3 6.1 -3.4 3.2 10.5
615

Butanenitrile

1.0 3.3 0.9 5.6 -5.1 -1.4 1.4
616

Butanethiol

0.3 0.9 -7.4 1.6 -6.6 -3.2 -1.8
617

Butyl 1,1-dimethylpropyl ether

1.6 1.8 -2.9 7.1 -0.9 2.6 21.1
618

Butyl 2-propenoate

1.6 2.1 -6.5 6.8 -11.9 0.2 6.3
619

Butyl cyanide

0.9 3.2 0.1 5.0 -6.3 -3.4 1.5
620

Butyl cyclohexane

2.2 2.6 -3.9 -1.9 -1.1 -12.6 2.2
621

Butyl ethyl sulfide

1.9 1.8 -10.6 2.3 -9.6 -5.2 -8.2
622

Butylmethyldiazine

-5.2 -1.4 -1.3 -8.2 -3.4 -5.2 -11.9
623

CH3-NH.

-4.5 -2.4 5.9 -11.6 -6.9 -6.7 -7.7
624

CH3SCH2SH

-0.9 2.6 -12.0 -2.8 -13.6 -3.8 -11.3
625

CH3SSH

-1.4 -1.2 -9.8 2.6 -10.1 2.8 -3.3
626

Camphene

5.1 3.1 8.7 5.0 11.2 12.2 21.4
627

Camphor

5.9 4.0 8.5 6.7 6.3 16.0 30.0
628

Caprolactam

-1.0 -2.9 1.5 1.9 -3.3 -1.0 4.4
629

Carbazole

6.0 3.2 -2.6 3.7 0.8 17.5 3.3
630

Carbon dioxide

9.5 9.2 0.1 9.0 -4.9 14.2 18.9
631

Carbon disulfide

11.5 20.1 -18.1 8.9 -11.3 -10.5 8.9
632

Carbon monoxide

8.1 12.7 5.0 6.7 -6.6 20.7 20.5
633

Carbon oxysulfide

9.2 8.2 -8.6 10.1 -8.2 4.9 10.9
634

Carbon suboxide

-0.6 -2.5 -7.2 -1.7 0.5 7.8 -1.1
635

Carbon tetrachloride

1.4 -0.5 0.6 -3.1 -0.4 -5.3 -2.6
636

Carbon tetrafluoride

7.4 4.2 1.6 -1.8 0.5 -2.5 9.1
637

Carbonyl bromide

-7.3 -5.6 -10.2 -5.3 -8.0 2.2 -11.5
638

Carbonyl chloride

4.7 2.1 -3.5 3.5 -2.3 5.2 -0.1
639

Carbonyl fluoride

13.9 13.0 7.8 11.1 7.1 6.4 14.1
640

Carbonyl fluoride chloride

8.5 6.8 2.0 8.4 2.7 10.0 9.7
641

Chloroacetylene

5.9 2.3 7.8 -4.6 8.0 -3.4 1.4
642

Chloroethane

1.3 2.9 -5.1 4.7 -2.5 0.6 -2.0
643

Chloroethylene

-3.3 -2.8 -4.9 1.1 -2.6 -2.8 -3.7
644

Chloroform

4.7 3.7 -2.4 3.8 -3.4 -4.4 -4.3
645

Chloromethylene

-5.5 -4.1 -1.1 3.2 -4.3 -2.3 0.9
646

Chloropentafluorobenzene

-8.3 -10.0 -3.7 1.2 6.5 0.6 -8.4
647

Chloropentafluoroethane

-1.9 -3.7 -3.5 1.5 -4.7 10.5 18.6
648

Crotonaldehyde

-1.7 0.9 -2.5 -5.0 -3.0 -3.0 -4.0
649

Cubane

-23.1 -42.2 2.4 -35.0 9.4 2.4 -49.8
650

Cyanocyclohexane

3.8 3.9 4.7 6.8 -4.0 -5.2 2.6
651

Cyanogen

-2.3 0.4 5.0 3.6 -5.4 -5.9 -7.2
652

Cyanogen bromide

-3.0 -8.2 3.5 10.3 -2.0 -10.8 -3.3
653

Cyanogen chloride

1.3 0.5 3.5 0.0 -1.8 -7.0 1.6
654

Cyanogen fluoride

-9.0 -8.9 -2.8 -2.1 -4.2 -13.0 -11.0
655

Cyclobutane

-9.1 -10.3 -2.8 -10.6 2.9 -7.8 -18.7
656

Cyclobutene

-0.3 -3.7 0.7 0.2 6.4 8.3 -6.5
657

Cyclodecanone

-0.7 -0.7 6.4 -0.4 6.1 -9.3 9.7
658

Cycloheptanone

-1.4 -1.8 2.1 -0.9 0.8 -6.3 -0.2
659

Cycloheptatriene

-4.6 -5.8 1.3 -0.8 6.9 -5.0 -9.5
660

Cyclohexamethylenimine

-4.5 -7.3 -0.5 -8.9 -0.2 -15.1 -6.9
661

Cyclohexanamine

4.6 2.7 3.8 0.4 2.1 -6.9 -0.8
662

Cyclohexane

2.1 2.0 -3.4 -1.6 0.4 -9.1 -5.4
663

Cyclohexanethiol

-0.7 -3.4 -5.5 1.2 -6.5 -7.5 -2.9
664

Cyclohexanone

-5.5 -5.8 -3.4 -6.2 -5.3 -9.4 -6.2
665

Cyclohexanone oxime

-8.6 -7.1 1.3 -0.3 1.9 -11.4 -17.4
666

Cyclohexene

-2.3 -2.9 -1.7 -3.9 1.3 -9.1 -8.9
667

Cyclohexyl butanoate

2.4 0.9 -4.8 9.0 -11.7 -3.2 11.0
668

Cyclononanone

-3.3 -3.2 4.0 -2.0 3.3 -9.8 5.2
669

Cyclooctanone

-0.6 -0.6 4.3 0.6 3.4 -6.2 3.6
670

Cyclooctatetraene

-11.1 -12.3 3.2 -4.1 5.6 -7.3 -14.6
671

Cyclopentadiene

0.2 0.0 1.7 -0.4 6.5 4.9 -0.1
672

Cyclopentane

-0.9 -1.5 -3.0 -5.7 1.2 -10.6 -12.2
673

Cyclopentanecarbonitrile

-1.0 -1.1 3.3 1.3 -4.8 -8.2 -6.3
674

Cyclopentanone

-7.6 -7.9 -2.9 -9.2 -4.3 -9.4 -11.1
675

Cyclopentanthiol

-4.4 -6.9 -5.4 -3.7 -6.1 -9.4 -10.7
676

Cyclopentene

-2.9 -3.2 -0.6 -5.3 3.0 -5.4 -8.7
677

Cyclopentylamine

-2.0 -4.5 3.7 -4.8 2.4 -9.6 -9.4
678

Cyclopropane

-0.7 -1.5 -1.4 3.5 4.2 5.0 -1.5
679

Cyclopropene

-3.0 -5.3 2.9 1.9 9.9 8.6 2.1
680

Cyclopropyl benzene

2.1 0.4 0.5 6.2 4.1 8.2 1.5
681

Cyclopropylamine

-0.3 -4.0 5.8 0.2 6.6 0.1 -3.1
682

Cyclotetradecane

-7.9 -7.3 -5.3 -13.8 -0.8 -29.5 4.3
683

Cycloundecanone

-3.1 -2.1 5.6 -4.5 5.5 -11.3 10.6
684

Cysteine

-3.3 -5.1 -0.3 -2.6 -13.7 -9.2 -4.4
685

DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane

-4.0 -2.4 26.0 2.3 33.3 6.5 68.2
686

Decafluorocyclohexene

-1.8 -4.2 1.4 9.9 4.0 28.0 38.6
687

Decahydro trans-quinoline

-0.4 -4.5 2.9 -5.7 0.0 -12.1 0.1
688

Decanol

-2.1 -0.5 -3.3 -5.8 -4.6 -23.1 -6.4
689

Decyl methyl ether

-1.6 -1.2 -10.1 -5.2 -10.3 -22.6 -3.4
690

Decylcyclohexane

1.1 2.1 -7.6 -5.0 -7.1 -24.2 3.5
691

Di-i-butyl sulfone

10.6 9.3 28.5 31.1 33.5 28.2 162.0
692

Di-isopropyl ether

0.2 -0.8 -1.7 6.2 1.3 4.2 13.8
693

Di-n-butyl ether

-1.1 -1.1 -5.6 -1.7 -4.2 -12.7 0.7
694

Di-n-butyl sulfate

-3.9 -3.0 24.2 -7.9 16.6 -15.8 165.5
695

Di-n-butyl sulfite

-8.4 -10.9 7.7 -12.1 10.0 -29.5 55.2
696

Di-n-butyl sulfone

3.1 1.8 20.8 19.7 22.1 13.5 143.8
697

Di-n-propyl sulfone

3.3 1.5 21.8 20.2 23.9 16.9 143.0
698

Di-n-propylamine

-0.5 -0.3 -3.0 -2.5 -2.3 -3.8 0.6
699

Di-sec-butyl ether

0.3 0.5 -1.3 6.7 1.5 1.5 17.2
700

Di-sec-butylamine

3.7 2.8 2.4 1.4 3.9 6.1 17.3
701

Di-tert-butyl disulfide

0.4 -7.8 -6.8 20.0 -4.6 16.0 21.0
702

Di-tert-butyl ketone

0.3 3.6 3.0 3.8 4.6 13.8 39.1
703

Di-tert-butyl sulfide

-0.5 -8.4 -2.9 10.8 0.9 11.1 21.4
704

Di-tert-butyl sulfone

10.6 8.5 31.4 38.1 38.2 41.6 178.8
705

Diacetyl

-4.7 -0.8 -3.4 -5.3 -7.8 3.2 -0.6
706

Diacetylene

-0.3 -2.1 2.6 -10.6 5.3 -7.0 -9.8
707

Diadamantane

2.8 -5.1 7.7 -3.8 3.0 -14.1 11.3
708

Diazomethane

-15.0 -13.0 -5.6 -10.0 0.7 -8.4 -3.8
709

Dibenzofuran

11.7 10.8 -4.3 14.0 -0.1 24.8 3.0
710

Dibromomethane

4.3 6.3 3.2 11.4 2.6 2.5 -1.6
711

Dibutylamine

2.4 2.8 -0.8 -0.3 -1.0 -4.4 4.3
712

Dibutyldisulfide

0.0 -1.2 -15.6 5.5 -17.1 -6.0 -8.0
713

Dichloroacetylene

6.6 -0.1 6.0 -9.0 4.8 -9.4 -2.4
714

Dichloromethane

4.7 5.1 -4.1 5.8 -3.9 -2.9 -5.1
715

Dichloromethylene

-13.8 -12.8 -3.0 0.4 -1.5 -8.6 0.6
716

Dicyanoacetylene

0.1 1.7 4.1 1.5 -4.4 -6.8 -15.2
717

Diethanolamine

-9.8 -4.9 16.3 -5.0 7.6 -16.2 -8.4
718

Diethoxy ethylthiomethane

1.6 -6.8 -9.2 10.7 -13.3 -1.2 -3.6
719

Diethyl ether

-0.4 -1.2 -3.1 0.6 0.1 -4.8 0.8
720

Diethyl ketone

-1.7 1.3 -5.0 0.0 -4.9 0.4 2.9
721

Diethyl malonate

-1.7 -3.5 -11.8 9.2 -25.8 1.7 9.0
722

Diethyl peroxide

2.7 7.6 -7.2 0.7 1.0 7.2 7.8
723

Diethyl sulfate

0.2 -2.0 30.8 -0.9 25.5 -5.6 167.2
724

Diethyl sulfite

-4.6 -8.6 13.2 -9.4 16.4 -19.7 56.6
725

Diethyl sulfone

3.8 2.3 23.6 21.6 26.7 21.2 143.0
726

Diethyl sulfoxide

2.6 6.2 10.1 3.4 17.0 -2.6 41.3
727

Diethyl thioether

0.1 0.6 -9.8 0.6 -7.2 -2.3 -8.1
728

Diethylcyanamide

3.9 5.8 3.8 7.7 -4.3 10.2 14.1
729

Diethylphosphine

-1.2 -1.4 -7.4 0.4 3.2 6.6 -19.9
730

Difluorochloromethane

4.4 0.8 0.2 5.9 2.2 1.3 1.2
731

Difluorodichloromethane

-2.6 -4.4 -0.7 1.4 0.9 10.5 7.3
732

Difluoromethane

10.1 3.4 2.8 4.3 6.0 -8.0 -3.7
733

Difluoromethylene

-24.6 -18.0 1.9 -4.1 1.8 -23.0 -20.2
734

Diiospropylamine

2.0 0.2 0.4 0.5 2.2 6.9 12.3
735

Diisobutyl sulfide

1.8 1.4 -8.7 5.5 -7.6 -1.0 3.0
736

Diisobutyl sulfone

8.1 3.9 27.4 27.6 30.4 24.4 160.2
737

Diisopropenyldiacetylene

-0.4 -3.0 -0.7 -3.4 5.3 -0.8 -15.1
738

Diisopropyldithiocarbamic acid

5.0 -1.0 -7.5 18.8 -5.5 15.6 30.8
739

Dimethoxymethane

-4.3 -8.5 -6.5 -7.0 -7.5 -20.2 -11.2
740

Dimethyl acetal

0.9 -3.0 -4.4 -1.2 -5.2 -10.1 -2.1
741

Dimethyl dimethylmalonate

6.1 6.9 -2.8 15.3 -17.0 11.4 24.3
742

Dimethyl ether

-1.0 -1.8 -4.0 -4.4 -0.7 -9.2 -7.3
743

Dimethyl furazan

3.1 8.6 -2.7 29.6 5.1 43.1 -4.7
744

Dimethyl isophthalate

6.5 5.7 -11.0 11.2 -24.7 6.7 13.8
745

Dimethyl malonate

1.5 -0.5 -7.3 5.1 -21.1 -0.3 5.9
746

Dimethyl methylmalonate

3.4 3.0 -7.2 8.8 -20.3 3.6 11.7
747

Dimethyl naphthalene-2,6-dicarboxylate

5.8 4.3 -14.5 10.7 -27.1 7.6 13.3
748

Dimethyl oxalate

11.2 12.2 -1.0 7.5 -11.1 7.2 5.4
749

Dimethyl perfluoroether

2.8 -4.9 0.7 -12.1 -8.7 -11.5 11.4
750

Dimethyl peroxide

2.4 7.2 -5.5 -4.1 2.6 3.1 1.9
751

Dimethyl phthalate

4.2 4.9 -8.8 8.9 -21.4 7.3 6.6
752

Dimethyl propanedinitrile

-2.0 -0.4 6.9 7.5 -10.3 0.3 5.6
753

Dimethyl sulfate

0.9 -1.1 31.5 -8.0 26.3 -10.6 158.7
754

Dimethyl sulfite

-4.2 -8.9 14.2 -14.1 18.4 -23.9 51.1
755

Dimethyl sulfone

-2.6 -5.1 24.0 12.7 27.4 18.7 142.7
756

Dimethyl sulfoxide

-1.5 3.3 7.3 -2.8 14.0 -3.3 40.0
757

Dimethyl thioether

1.5 3.7 -9.1 -2.1 -6.6 -0.5 -8.2
758

Dimethylamine

0.2 1.4 -0.7 -3.5 1.6 -1.2 -2.3
759

Dimethylaminomethanol

-3.5 -2.2 3.7 -5.2 2.1 -1.4 -1.6
760

Dimethylphosphine

-4.3 -2.9 -10.3 -4.6 0.0 3.1 -17.1
761

Dinitrophenylmethane

11.2 12.1 2.2 8.7 23.6 23.1 48.9
762

Dioctylamine

-2.8 -1.6 -9.5 -8.1 -12.8 -23.7 2.1
763

Dioxybismethanol

-14.1 5.7 7.2 -3.4 8.3 -13.7 -3.4
764

Dipentyl ether

2.9 3.2 -4.8 2.7 -4.2 -12.2 4.0
765

Dipentyl ketone

-1.9 1.4 -7.1 -1.7 -9.4 -9.9 5.9
766

Diphenyl oxalate

11.1 15.8 -0.8 15.2 -12.3 25.6 7.3
767

Diphenyl sulfone

2.0 3.0 30.9 22.4 31.4 19.3 147.6
768

Diphenyl sulfoxide

-2.1 4.5 12.5 6.1 16.1 -3.4 40.4
769

Diphenylethyne

8.6 7.7 0.7 6.1 2.6 5.7 -2.6
770

Dipropyl disulfide

0.3 -1.0 -14.2 6.5 -15.0 -2.1 -8.3
771

Dipropyl sulfate

-0.1 -1.7 27.4 -2.4 21.1 -10.5 164.6
772

Dipropyl sulfite

-6.6 -10.0 10.6 -10.3 12.9 -24.8 55.6
773

Dipropyl sulfoxide

4.4 7.8 7.5 5.3 12.8 -4.3 42.6
775

Dipropyldithiocarbamic acid

-2.5 -5.0 -19.3 13.7 -21.5 3.8 12.9
776

Dispiro[2.2.2.2]deca-4,9-diene

-8.2 -16.1 -0.9 -1.1 2.4 5.1 -7.2
777

Divinyl ether

-3.8 -4.0 -0.7 2.5 2.9 4.1 1.2
778

Divinyl sulfone

-7.2 -6.3 29.5 10.6 29.9 10.5 137.3
779

Dodecafluorocyclohexane

1.6 2.1 0.6 8.4 -1.6 41.2 67.7
780

Dodecylcyclohexane

0.7 2.0 -8.8 -6.0 -9.2 -28.0 3.8
781

Dotriacontane

-4.5 0.4 -23.4 -14.8 -28.2 -56.8 4.5
782

Eicosane

-0.9 2.9 -14.5 -7.1 -14.6 -32.0 3.6
783

Ethane

2.0 4.4 -3.5 2.1 3.6 2.8 0.5
784

Ethanedithiol-1,2

-0.4 -1.6 -7.5 3.4 -11.3 -1.1 -4.2
785

Ethanethioamide

3.8 0.1 -5.5 18.0 -7.2 5.0 10.0
786

Ethanol

0.3 1.3 2.7 -0.7 4.6 -6.5 -6.8
787

Ethoxybenzene

-0.1 0.5 -6.6 5.1 -3.7 2.7 1.3
788

Ethyl (Z)-2-pentenoate

0.5 0.5 -5.1 6.6 -9.6 1.7 5.9
789

Ethyl (Z)-3-pentenoate

-3.2 -3.6 -5.5 4.0 -10.6 -1.1 3.2
790

Ethyl 2-cyanopropionate

1.4 2.5 -0.1 12.5 -15.5 3.8 9.9
791

Ethyl 2-methylbutanoate

3.7 4.1 -4.1 9.8 -7.8 4.6 15.0
792

Ethyl 2-methylene-3-butenoate

5.3 6.0 1.9 14.4 -2.7 11.2 12.5
793

Ethyl 2-pentynoate

12.8 10.9 5.5 9.7 0.5 9.3 3.6
794

Ethyl 3-methylbutanoate

5.2 4.8 -2.7 11.5 -6.5 6.2 17.6
795

Ethyl 3-pentynoate

4.4 2.7 0.9 3.6 -6.5 1.1 -1.4
796

Ethyl 4-pentenoate

1.1 1.1 -3.2 9.0 -6.9 1.7 9.3
797

Ethyl 4-pentynoate

7.0 4.9 4.3 6.6 -4.5 2.6 8.6
798

Ethyl N,N-dimethylglycinate

1.8 0.6 -3.9 1.7 -11.1 6.7 10.9
799

Ethyl acetate

1.4 0.8 -4.8 7.5 -8.2 4.2 8.4
800

Ethyl butanoate

1.8 2.1 -7.0 7.2 -11.3 0.7 7.8
801

Ethyl cyanide

1.5 3.9 2.1 6.4 -3.4 0.9 1.6
802

Ethyl cyclopentane

-0.8 -0.9 -2.6 -4.6 1.2 -10.0 -6.3
803

Ethyl decanoate

1.6 2.6 -9.8 5.1 -16.5 -10.0 9.9
804

Ethyl formate

3.1 2.6 -3.1 2.8 -5.2 -1.9 5.0
805

Ethyl nitrate

-2.7 -8.3 -7.4 0.4 7.2 -0.5 18.8
806

Ethyl nitrite

-1.3 1.3 -0.9 10.9 6.4 -12.9 -16.1
807

Ethyl nonanoate

0.9 1.4 -9.5 5.3 -15.8 -8.4 9.4
808

Ethyl octanoate

1.1 1.6 -8.9 5.8 -14.8 -6.4 9.2
809

Ethyl pentanoate

2.1 2.5 -7.3 7.1 -12.0 -0.9 8.4
810

Ethyl phenyl sulfide

-2.7 -2.3 -9.4 1.8 -9.0 -3.6 -8.6
811

Ethyl propionate

2.6 3.1 -5.9 8.3 -9.8 3.2 8.0
812

Ethyl tert-butyl disulfide

-0.1 -4.7 -10.9 13.2 -9.7 8.4 5.6
813

Ethyl trans-2-pentenoate

0.4 0.4 -7.2 6.5 -11.7 1.6 5.8
814

Ethyl(1,1-dimethylpropyl)malonodinitrile

5.8 8.9 15.5 19.6 0.0 13.1 42.0
815

Ethyl-(E)-2-butenoate

0.1 -0.6 -6.2 6.7 -10.2 3.4 6.0
816

Ethyl-t-butyl sulfone

7.0 5.4 26.2 29.7 30.4 30.2 159.1
817

Ethylamine

0.1 0.2 1.3 -1.2 3.1 -3.8 -1.9
818

Ethylbenzene

1.3 3.0 -3.9 2.2 0.8 1.4 1.5
819

Ethylcyclohexane

2.6 2.8 -2.9 -0.8 0.7 -8.8 1.5
820

Ethylene

1.4 3.3 0.7 4.2 5.7 4.0 2.9
821

Ethylene glycol

-20.4 -2.2 11.2 -4.7 9.0 -17.6 -11.6
822

Ethylene oxide

1.3 2.5 -1.2 4.4 2.9 3.6 -3.0
823

Ethyleneimine (Azirane)

2.1 -0.6 1.9 1.4 3.8 2.9 -5.2
824

Ethylenetricarbonitrile

-7.6 -5.1 6.8 2.4 -15.5 -11.1 -14.0
825

Ethylmalonic acid

7.7 10.5 9.8 8.4 -4.4 4.1 12.9
826

Ethylphosphine

-4.2 0.7 -9.4 0.3 1.0 8.1 -9.1
827

Ethylphosphonic dichloride

13.5 13.4 6.4 6.9 9.6 19.0 53.9
828

Ethyne sulfenic acid

-0.6 0.0 15.7 -20.6 14.3 -19.1 -8.4
829

Fluoranthene

9.2 6.9 -6.2 10.0 0.0 18.0 2.8
830

Fluorene

7.2 5.9 -0.4 7.0 3.7 12.4 3.0
831

Fluorobenzene

3.2 3.4 -2.3 7.5 3.0 4.4 2.4
832

Fluorochloromethane

4.6 1.8 -1.8 5.0 0.6 -2.7 -5.4
833

Fluorocyclohexane

6.1 2.9 0.1 6.3 2.7 -4.1 4.0
834

Fluorodichloromethane

2.4 0.6 -1.8 5.7 -0.5 2.4 -1.5
835

Fluorodinitrophenylmethane

-5.0 -2.2 -15.5 -4.7 9.0 16.2 33.6
836

Fluoroethane

3.6 1.0 -3.0 2.6 2.2 -3.4 -2.2
837

Fluoroethylene

0.2 -0.8 -0.4 3.9 5.5 -1.6 -2.0
838

Fluoromethane

7.4 3.2 1.9 3.0 7.0 -4.2 -4.1
839

Fluoromethylidyne

-16.4 -12.9 -2.5 -7.5 -15.9 -23.4 -22.8
840

Fluorotrichloromethane

-1.9 -2.8 -0.1 1.6 1.0 8.1 3.7
841

Formaldehyde

0.4 5.3 0.2 -8.2 1.1 -5.6 -7.0
842

Formamide

0.4 3.9 2.2 4.0 -0.6 -0.3 5.1
843

Formic acid

-6.3 2.6 2.6 -3.9 0.0 -6.9 -2.1
844

Fulvene

1.0 6.2 5.4 8.6 10.5 15.1 6.1
845

Fumaronitrile

7.6 -1.6 4.0 4.6 -10.3 -5.3 -6.6
846

Furan

-3.7 0.0 -0.9 4.2 4.6 11.2 -0.4
847

Glutamic acid

2.6 -2.9 6.0 -3.2 -14.0 -12.0 2.5
848

Glutamine

-2.5 -2.8 7.3 0.9 -13.5 -6.3 8.6
849

Glutarimide

-3.0 -6.8 -2.3 -0.5 -13.6 3.9 2.0
850

Glycerol

-5.6 -5.6 13.5 -3.7 5.9 -21.9 -12.7
851

Glycerol trinitrate

-21.5 -34.7 -19.2 -13.4 15.0 -9.3 57.9
852

Glycine

-17.7 0.5 5.1 -2.3 -4.0 -7.9 -2.0
853

HCOF

0.5 5.6 -0.8 1.2 0.4 -3.0 1.2
854

HPO3

-43.4 -22.6 -15.1 -42.3 -15.0 -33.6 29.8
855

Heptadecane

-0.3 3.1 -12.6 -5.6 -11.6 -26.2 3.0
856

Heptafluoromethane triamine

-5.2 -6.8 -10.7 -10.6 13.2 4.7 -11.1
857

Heptanal

-3.0 0.7 -4.9 -7.8 -6.1 -12.6 -3.3
858

Heptanolactone

0.2 -0.9 1.3 1.1 -1.8 -4.5 5.9
859

Hexabromoethane

-7.8 -2.9 4.2 1.4 0.8 -1.5 -2.5
860

Hexachlorobenzene

-8.2 -1.4 1.7 -0.6 -2.8 0.7 5.9
861

Hexachloroethane

-5.9 1.4 5.8 -2.0 0.9 -1.3 7.1
862

Hexacyclopropylethane

3.4 -10.9 36.1 30.4 44.1 56.9 70.4
863

Hexadecylcyclopentane

-2.2 -1.2 -9.5 -12.0 -10.9 -35.4 -1.8
864

Hexafluorobenzene

-7.7 -8.6 -2.7 -0.9 10.8 -2.8 -15.1
865

Hexafluorodimethylamine

3.3 1.5 -4.5 -3.7 10.9 12.2 -3.3
866

Hexafluoroethane

9.3 6.8 1.5 3.3 -0.4 7.9 21.5
867

Hexafluoropentanedioic acid, dimethyl ester

1.2 5.1 -5.7 16.8 -21.1 25.8 39.1
868

Hexahydro-1H-pyrrolizine

-7.8 -13.1 0.5 -18.9 -0.5 -9.7 -19.2
869

Hexamethylbenzene

-6.1 -5.4 -0.9 -7.2 13.3 6.8 22.9
870

Hexanedinitrile

0.4 3.2 6.2 9.5 -12.6 -5.3 2.8
871

Hexanitroethane

4.4 15.2 -9.7 -14.8 72.1 43.0 134.3
872

Hexanoic acid

0.4 2.1 -1.7 -0.2 -7.0 -7.2 2.7
873

Hexanoic acid, 6-amino-

0.4 0.4 5.4 -1.5 -5.7 -12.1 2.4
874

Hexyl cyclopentane

-1.7 -1.3 -5.0 -6.7 -2.8 -17.8 -5.4
875

Hexylcyclohexane

1.8 2.4 -5.2 -2.9 -3.1 -16.4 2.6
876

Histidine

2.8 1.2 10.6 -1.0 -6.9 14.7 2.3
877

Hydrogen cyanide

-2.5 0.9 4.6 0.6 -0.5 -1.3 3.0
878

Hydrogen isocyanate

0.9 3.3 -0.9 9.0 -3.4 9.1 13.5
879

Hydrogen isothiocyanate

2.0 6.2 -4.6 9.5 -3.1 -2.7 13.4
880

Hydroquinone

1.0 2.5 9.4 0.1 9.8 0.4 -7.8
881

Imidazole

1.5 2.3 2.5 -0.5 1.2 19.0 1.4
882

Imidodicarbonic diamide

5.3 9.2 8.5 18.0 -12.2 25.9 30.5
883

Isobutanal

0.5 4.0 -1.1 -3.2 -0.7 -1.5 1.0
884

Isobutane

3.5 4.9 -3.0 2.8 3.4 3.0 5.6
885

Isobutane nitrile

2.4 4.4 2.6 7.7 -3.3 2.8 5.6
886

Isobutene

-1.3 -0.8 -1.4 0.9 4.6 3.1 2.3
887

Isobutyl nitrite

-1.5 0.8 -2.4 11.3 4.4 -13.6 -11.7
888

Isobutyl phenyl ketone

3.3 6.0 -2.9 -3.3 -3.8 0.7 6.5
889

Isobutylamide

1.6 4.0 1.7 7.2 -2.6 6.6 12.3
890

Isocyanatobenzene

8.5 8.5 2.0 15.2 -0.2 21.5 17.4
891

Isoleucine

-2.3 -2.7 2.0 -3.3 -7.0 -9.5 6.7
892

Isonaphthoic acid

6.2 6.9 -1.5 6.5 -5.9 6.1 6.9
893

Isophthalamide

6.2 9.3 7.1 15.0 -7.5 16.0 17.0
894

Isoprene

0.5 1.3 3.0 4.1 8.0 5.2 5.3
895

Isopropanol

-2.1 -2.1 2.3 -0.7 4.7 -4.5 0.0
896

Isopropanthiol

-0.6 -1.7 -6.2 3.7 -4.3 2.0 1.8
897

Isopropyl 2-butenoate

0.4 -0.3 -6.3 9.8 -10.1 7.8 12.9
898

Isopropyl acetate

2.2 1.4 -4.4 10.7 -7.9 8.8 14.7
899

Isopropyl tert-butyl disulfide

-0.3 -6.3 -10.5 14.7 -8.9 10.8 10.4
900

Isopropylamine

2.4 1.7 2.6 1.2 4.0 0.7 3.6
901

Isopropylbutylamine

5.6 5.6 2.5 2.5 3.3 3.3 10.5
902

Isopropylnitrite

-3.3 -0.9 -3.5 12.2 3.7 -10.9 -12.8
903

Isopropylurea

3.2 4.1 3.3 9.0 -7.2 17.1 17.9
904

Isoquinoline

-0.3 1.2 -4.4 -1.8 -3.7 1.2 -3.7
905

Isoxazole

3.1 3.7 -1.8 15.4 4.1 23.3 -0.4
906

Ketene

-7.4 -7.1 -0.1 2.2 2.5 5.7 4.6
907

Leucine

-0.8 -1.2 2.5 -2.9 -7.3 -8.9 6.4
908

Lysine

-4.7 -6.3 4.8 -7.9 -10.4 -19.6 -1.9
909

Malaic anhydride

12.8 10.8 -2.7 5.0 -11.3 18.8 6.6
910

Melamine

20.1 30.1 14.1 12.3 -16.6 52.2 9.0
911

Meso-2,3-diethyl-2,3-dimethylsuccinodinitrile

2.0 5.2 10.3 17.6 -5.9 10.8 40.0
912

Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane

4.5 6.5 32.7 11.3 39.8 15.1 77.5
913

Methacrylamide

-1.9 -0.1 1.5 4.0 -2.7 5.8 5.9
914

Methane

3.5 5.6 -1.4 4.9 6.5 9.1 5.9
915

Methanol

-0.8 -0.2 3.7 -3.8 6.0 -9.0 -9.3
916

Methionine

-0.1 -0.2 -2.3 -2.3 -16.6 -10.3 -6.5
917

Methoxyacetonitrile

-1.3 -0.3 1.7 0.3 -7.3 -8.7 -7.2
918

Methyl 2,2-dimethyl-propanoate

5.7 5.7 -1.2 10.7 -4.9 9.4 21.9
919

Methyl 2-methylbutanoate

6.4 6.6 -1.2 9.4 -4.8 4.9 13.7
920

Methyl 2-propenoate

9.2 9.1 3.1 12.1 -1.0 9.5 11.0
921

Methyl 3,3-dimethylbutanoate

3.7 1.7 -2.2 8.6 -5.6 6.1 22.6
922

Methyl 3-methylbutanoate

6.7 5.9 -1.0 9.8 -4.9 5.1 15.0
923

Methyl 4-methylbenzoate

3.7 3.1 -6.5 7.0 -10.3 5.5 8.8
924

Methyl N,N-,a,a-tetramethylglycinate

10.2 8.9 8.4 11.9 2.6 21.6 35.0
925

Methyl N,N-dimethylalaninate

0.1 -1.4 -2.2 -0.9 -8.6 5.8 12.6
926

Methyl acetate

1.1 0.4 -4.4 3.9 -7.2 1.4 4.3
927

Methyl benzoate

6.1 6.1 -5.7 8.7 -10.3 5.5 8.7
928

Methyl carbamate

9.3 9.3 4.5 11.8 -5.4 10.3 12.5
929

Methyl chloride

3.5 4.9 -3.9 5.3 -1.0 1.0 -2.5
930

Methyl cyanoacetate

-1.1 -0.3 -1.6 5.0 -16.4 -2.9 0.7
931

Methyl cyclopropene

-5.0 -8.1 -0.7 -0.9 6.8 6.4 -4.6
932

Methyl ethyl ether

-0.2 -0.5 -5.3 -1.3 -2.3 -7.1 -5.0
933

Methyl ethyl ketone

-2.3 -0.4 -3.4 -0.4 -2.9 1.9 3.0
934

Methyl formate

-0.4 -0.8 -6.0 -3.5 -8.1 -7.5 -2.0
935

Methyl hexanoate

1.4 1.5 -7.2 3.3 -12.0 -5.1 5.7
936

Methyl hydroxyacetate

-5.3 1.2 -0.1 -0.1 -7.5 -8.5 -4.0
937

Methyl isocyanide

-0.2 6.4 4.7 15.6 -3.4 11.3 21.2
938

Methyl isothiocyanate

4.0 7.6 -8.4 9.0 -8.9 0.5 9.7
939

Methyl n-butyl sulfone

4.5 2.6 26.6 20.4 28.9 20.4 147.4
940

Methyl neopentyl ketone

0.6 0.4 0.6 9.1 1.0 15.0 25.7
941

Methyl nitrate

-2.3 -7.7 -6.1 -3.4 9.0 -2.3 16.6
942

Methyl nitrite

-3.4 -0.7 -1.1 6.6 5.7 -16.1 -20.9
943

Methyl pentanoate

1.3 1.2 -7.0 3.4 -11.3 -3.5 5.1
944

Methyl pentyl sulfide

1.2 2.2 -11.5 -1.2 -10.5 -7.0 -8.2
945

Methyl phenyl sulfide

-2.1 -0.4 -8.4 -0.1 -7.4 -2.2 -7.6
946

Methyl thiocyanate

-9.4 -3.6 -8.5 -10.1 -15.6 -16.2 -15.2
947

Methyl(1,1,2-trimethylpropyl)malonodinitrile

3.5 6.1 16.5 18.7 1.9 14.2 47.3
948

Methyl-cyclohexane

3.1 2.8 -2.3 0.0 1.3 -6.8 0.7
949

Methyl-i-propyl sulfone

3.0 1.2 24.9 21.9 28.7 23.9 148.8
950

Methyl-t-butyl sulfone

6.4 4.2 28.5 27.6 32.7 31.3 160.8
951

Methylamine

2.1 3.1 3.3 0.3 5.0 -1.9 -2.1
952

Methyldinitramine

1.2 -3.5 8.8 4.7 35.0 49.3 42.7
953

Methylene cyclobutane

-10.7 -14.0 -1.4 -9.5 3.8 -4.1 -18.3
954

Methylene diacetate

-0.3 -2.3 -5.8 5.7 -19.4 -0.5 8.6
955

Methylenecyclopropane

-9.8 -12.1 -3.1 -3.4 3.7 -0.3 -10.1
956

Methylethyl sulfone

2.4 0.4 25.5 18.9 28.8 21.7 144.6
957

Methylethylthioether

1.4 2.3 -9.7 0.1 -7.5 -1.4 -8.9
958

Methylhydrazine

-8.2 -8.5 6.7 -4.7 6.0 -5.3 -8.3
959

Methylmethylene

-11.4 -10.0 -0.3 -1.7 -3.2 -2.6 -2.0
960

Methylphosphine

-5.6 0.4 -9.2 -2.5 1.2 5.8 -7.7
961

Methylphosphonic dichloride

12.2 14.6 8.9 4.2 12.1 18.2 57.6
962

Methylphosphonodichloride

3.2 5.6 -0.1 -4.8 3.1 9.2 48.6
963

Methylphosphonodifluoride

6.0 7.8 6.0 7.9 8.0 5.5 85.9
964

Methylpropylthioether

1.6 2.6 -10.0 0.0 -8.2 -2.9 -8.3
965

N,N'-Bis(m-methoxyphenyl) terephthalamide

-5.7 -9.3 -7.7 10.3 -22.9 23.3 13.9
966

N,N'-Bis(o-methoxyphenyl) terephthalamide

-8.8 -9.2 -17.3 6.3 -29.6 16.5 6.4
967

N,N'-Bis(p-methoxyphenyl) terephthalamide

-6.6 -8.3 -11.3 5.7 -25.0 19.2 9.0
968

N,N'-Difluorobenzylamine

8.3 7.2 -0.2 12.3 9.9 9.3 9.5
969

N,N,4-Trimethyl benzamide

-2.8 -0.6 -7.1 0.4 -8.8 13.7 9.4
970

N,N,N',N'-Tetrafluoro-4-methyl-1,2-pentane

4.6 1.8 -6.9 10.6 11.2 5.3 26.3
971

N,N,N',N'-tetrafluoro-1,1-cyclohexanediamine

7.1 3.1 -4.7 9.9 11.9 4.9 16.9
972

N,N-(Dimethyl)thiobenzamide

6.4 3.7 -7.0 22.0 -6.2 19.2 18.2
973

N,N-Diethyl acetamide

0.1 0.7 -3.4 3.8 -5.0 15.8 19.7
974

N,N-Diethyl aniline

-5.5 -5.4 -6.9 -6.3 -2.1 4.8 12.1
975

N,N-Diethyl-hydroxylamine

-6.0 -3.3 0.3 1.3 2.1 3.4 0.9
976

N,N-Diethylaminoacetone

-1.9 -0.5 1.4 -4.3 -1.5 10.4 11.0
977

N,N-Dimethyamino-2,4,6-heptatriene-7-al

0.6 3.7 -4.9 -2.0 -1.5 5.4 8.6
978

N,N-Dimethyl 4-methoxybenzamide

-6.5 -5.1 -11.3 -1.6 -15.1 10.0 4.7
979

N,N-Dimethyl aniline

-0.8 0.0 -3.8 -4.1 0.6 7.0 9.4
980

N,N-Dimethyl benzamide

0.9 3.4 -5.0 3.5 -7.4 15.3 10.9
981

N,N-Dimethyl m-toluidine

-4.1 -3.9 -5.3 -6.8 -0.3 6.1 8.7
982

N,N-Dimethyl p-toluidine

-2.3 -1.3 -4.1 -5.9 1.2 6.9 8.8
983

N,N-Dimethyl propanamide

0.6 3.3 -5.0 3.9 -6.3 12.7 14.2
984

N,N-Dimethyl-1,3-propanediamine

-0.7 -0.8 2.4 -5.8 -0.7 -1.0 3.5
985

N,N-Dimethyl-1-adamantylcarboxamide

-1.4 -5.0 0.9 -0.8 -6.9 1.4 24.6
986

N,N-Dimethyl-m-nitroaniline

0.5 0.7 -6.3 -5.3 7.5 17.0 26.1
987

N,N-Dimethyl-p-nitroaniline

-1.4 -2.1 -7.5 -7.0 5.5 15.6 31.1
988

N,N-Dimethyl-tert-butylcarboxamide

0.6 2.5 -0.8 4.0 -1.1 18.1 27.0
989

N,N-Dimethylacetamide dimethyl acetal

-3.8 -5.6 -1.1 0.8 -5.8 7.2 14.1
990

N,N-Dimethylamino-2,4-pentadiene-5-al

-0.6 2.5 -5.0 -4.0 -2.8 4.2 6.8
991

N,N-Dimethylamino-2-propen-3-al

3.6 6.1 -0.7 -0.8 0.3 8.1 10.3
992

N,N-Dimethylbutyramine

0.1 2.7 -5.5 3.4 -7.2 10.7 14.7
993

N,N-Dimethylglycine methyl ester

-1.6 -2.7 -4.8 -2.5 -12.0 1.4 7.3
994

N,N-Dimethylnonamide

-0.7 2.5 -8.5 1.0 -12.2 1.1 15.8
995

N,N-diethylurea

0.8 2.0 -0.9 5.1 -9.3 17.3 19.6
996

N-(2-Methylpropyl)-1-butanamine

2.4 2.7 -0.4 1.1 -0.2 -1.3 9.1
997

N-(2-Methylpropylidene)-butylamine

0.7 4.7 0.0 -0.1 0.6 -0.6 6.6
998

N-(3-Phenoxy-2-hydroxypropyl)aniline

5.5 4.9 10.9 11.8 3.5 7.1 16.5
999

N-Butylamine

1.4 2.0 2.0 0.7 2.5 -4.5 -0.4
1000

N-Ethyl aniline

0.9 0.7 0.1 1.7 2.2 4.4 5.2
1001

N-Ethyl m-toluidine

-3.0 -3.7 -2.0 -1.9 0.7 3.0 3.7
1002

N-Methyl acetamide

3.1 4.2 2.0 7.8 -1.4 11.9 11.9
1004

N-Methyl pyrrole

1.1 0.4 0.0 1.2 4.7 19.7 7.6
1005

N-Methyl urea

4.9 7.5 5.2 8.7 -4.8 15.0 12.4
1006

N-Methyl-n-butylamine

4.3 5.2 2.4 1.3 3.5 0.4 4.2
1007

N-Methylaniline

1.9 2.3 0.6 0.5 3.0 4.0 4.1
1008

N-Methylcarbazole

8.1 6.2 -4.3 5.1 0.3 25.0 8.4
1009

N-Methylglycine

-6.2 -6.1 -1.7 -8.7 -10.2 -11.0 -6.0
1010

N-Methylmaleimide

10.4 9.4 -1.4 8.5 -11.4 32.2 10.0
1011

N-Methylsuccinimide

1.7 1.3 -3.7 4.9 -13.7 20.8 7.0
1012

N-Phenylglycine

-1.4 -1.9 0.5 -4.6 -7.6 -3.0 1.5
1013

N-methyl-N-phenyl formamide

3.2 5.1 -1.6 4.5 -3.5 13.8 11.3
1015

Naphthalene

3.7 4.0 -4.6 4.5 0.4 4.4 2.2
1016

Neopentane

4.8 5.3 -0.9 4.4 5.2 7.5 15.6
1017

Niacin

-3.7 -1.3 -4.5 -6.0 -14.3 -4.8 -5.9
1018

Nitrobenzene

2.8 3.1 -6.1 -1.0 6.5 9.8 22.1
1019

Nitroethane

0.9 2.1 -5.2 2.6 7.5 6.6 20.2
1020

Nitromesitylene

-4.4 -6.4 -5.0 -3.1 10.6 11.5 23.6
1021

Nitromethane

0.7 1.6 -2.1 1.9 10.5 7.9 21.2
1022

Nonadecane

-0.7 2.9 -13.9 -6.6 -13.6 -30.1 3.4
1023

Norbornadiene

-0.6 -2.7 5.1 -1.0 9.1 7.9 3.1
1024

Norbornan-7-one

-5.4 -6.9 -1.6 -8.8 -4.3 -4.6 -5.7
1025

Norbornane

3.1 1.8 0.1 -1.4 2.4 -2.1 1.9
1026

Octadecane

-0.5 3.0 -13.3 -6.1 -12.6 -28.1 3.2
1027

Octafluoromethanetetramine

-3.6 -6.0 -6.4 -8.4 26.1 -0.6 -4.4
1028

Octafluorotoluene

5.4 3.5 8.0 14.1 17.5 17.8 16.2
1029

Octahydro-3a-methyl-cis-2H-inden-2-one

-2.3 -5.4 5.1 -4.5 1.3 -4.9 7.9
1030

Octahydro-3a-methyl-trans-2H-inden-2-one

-1.2 -4.3 4.4 -2.7 1.1 -2.7 11.6
1031

Octalene

-26.4 -28.5 1.6 -11.2 5.6 -14.0 -25.7
1032

Octamethylhexane

5.1 4.6 15.8 4.8 30.8 25.9 106.1
1033

Octanal

-1.4 2.3 -4.6 -6.6 -5.4 -12.8 -1.3
1034

Octanone-1-oxime

-6.5 -1.2 -0.6 0.9 1.8 -13.3 -10.7
1035

Octanone-2-oxime

-2.8 1.0 2.8 6.6 4.3 -5.5 -4.3
1036

Octanone-3-oxime

-5.2 -0.6 0.9 8.9 7.3 -5.4 -7.6
1037

Octanone-4-oxime

-3.4 1.3 3.0 10.9 9.4 -3.3 -5.6
1038

Octylcyclohexane

1.4 2.3 -6.4 -3.9 -5.2 -20.3 3.0
1039

Oxacyclododecan-2-one

-2.9 -3.6 -1.7 2.2 -6.1 -13.0 11.2
1040

Oxalamide

5.3 10.1 4.0 11.6 -7.5 10.5 19.2
1042

Oxalone

4.1 2.1 -0.6 2.2 -0.5 16.1 -4.6
1043

Oxalyl chloride

4.3 4.0 -3.2 2.9 -5.1 8.5 -2.7
1044

Oxamic acid

7.0 11.4 5.4 3.8 -5.8 5.1 7.8
1045

P2H4

-9.1 -11.5 -19.8 -7.6 -4.1 1.6 -7.9
1048

Pentachlorobenzene

-3.0 1.3 2.3 4.7 -1.9 4.5 7.2
1049

Pentadecane

0.5 3.7 -11.0 -4.1 -9.1 -21.8 3.1
1050

Pentadecylcyclohexane

0.9 2.4 -9.6 -7.0 -11.0 -32.8 5.3
1051

Pentaerythritol tetranitrate

-17.2 -39.2 -19.5 -5.9 20.6 -3.3 93.7
1052

Pentafluorobenzene

-4.4 -5.4 -2.9 3.8 8.5 0.4 -9.3
1053

Pentafluoroguanidine

-4.1 -7.2 -5.1 -7.0 17.2 -4.7 -16.8
1054

Pentafluoromethylamine

9.0 6.9 1.0 1.0 7.9 11.7 5.6
1055

Pentafluorophenol

-7.0 -6.1 1.1 -2.6 11.0 -4.0 -19.1
1056

Pentamethylbenzene

-3.5 -2.0 0.4 -3.2 8.0 7.4 16.2
1057

Pentamethylbenzoic acid

-5.8 -5.2 3.8 -4.6 5.4 4.5 17.8
1058

Pentyl cyclohexane

2.0 2.5 -4.6 -2.4 -2.1 -14.5 2.4
1059

Pentyl cyclopentane

-1.5 -1.3 -4.4 -6.2 -1.8 -15.9 -5.6
1060

Perfluoro 3-ethyl 2,4 dimethyl pent-2-en

-4.4 -1.2 2.1 8.8 -4.5 48.2 119.3
1061

Perfluoro cis decalin

-7.4 -1.0 4.0 21.1 2.1 75.4 130.6
1062

Perfluoro-2,7-dimethyloctane

-0.4 8.9 -2.8 8.8 -13.1 67.0 140.0
1063

Perfluoroacetone

-11.9 -10.8 -12.9 -14.9 -18.2 -6.5 3.2
1064

Perfluorobut-2-ene

5.5 1.0 8.1 10.1 10.0 13.4 23.7
1065

Perfluorobutadiene

-18.3 -21.1 -8.2 -13.9 4.0 -20.6 -24.9
1066

Perfluorocyclobutane

-5.8 -10.8 -0.4 -9.8 2.1 2.1 5.7
1067

Perfluorodimethoxymethane

4.0 -6.4 5.8 -15.5 -12.1 -15.2 18.0
1068

Perfluoroheptane

4.6 7.2 -2.3 7.5 -11.0 44.3 85.7
1069

Perfluoromethanol

5.4 2.0 4.5 -4.5 11.5 5.0 19.4
1070

Perfluoropropane

15.9 13.8 7.7 11.7 4.6 22.6 41.5
1071

Perfluorotributylamine

-4.0 7.1 -5.0 -4.2 -23.7 86.1 138.8
1072

Perfluorotriethylamine

-3.3 -0.7 -4.4 -11.9 -16.4 41.4 60.6
1073

Perhydrotriquinacene

-2.0 -6.8 4.6 -10.7 4.9 -16.0 -14.4
1074

Phenanthrene

5.1 4.8 -4.7 5.4 0.5 7.8 6.0
1075

Phenanthridine

6.7 7.3 -1.4 3.5 -0.8 10.4 3.0
1076

Phenazine

5.3 4.7 -7.0 -2.2 -8.2 11.9 -9.3
1077

Phenazone

-3.7 -3.8 0.2 -5.3 0.5 0.2 -17.4
1078

Phenetole

1.0 1.4 -3.2 5.8 0.2 4.8 4.5
1079

Phenol

0.9 1.9 2.1 1.3 4.3 0.7 -3.7
1080

Phenol, 2-[(phenylimino)methyl]-, N-oxide

-8.7 2.5 -1.5 8.7 10.0 23.9 24.6
1081

Phenothiazine

-13.4 -15.4 -6.7 -6.7 -7.0 -4.8 -16.5
1082

Phenoxathiin

-11.9 -11.3 -10.1 1.1 -10.3 1.7 -19.3
1083

Phenoxazine

-1.3 -1.7 -1.1 -2.6 0.2 10.3 -5.9
1084

Phenyl benzoate

4.9 6.9 -6.6 12.0 -11.8 14.1 7.0
1085

Phenyl cyanide

2.0 3.8 0.0 6.9 -6.1 1.8 0.4
1086

Phenyl formate

5.6 6.2 -4.3 0.1 -6.4 4.3 1.5
1087

Phenylalanine

-2.8 -3.1 1.6 -3.6 -9.4 -8.2 0.4
1088

Phenylhydrazine

-4.8 -6.6 3.7 -0.9 2.8 -1.9 -3.3
1089

Phenylnitromethane

4.0 3.9 -2.0 4.0 8.6 9.1 21.7
1090

Phosphine

-4.7 2.3 -9.6 -1.1 1.1 8.9 2.6
1091

Phosphino

7.4 3.2 -10.8 -1.0 -10.4 4.0 0.9
1092

Phosphorus bromide

43.4 16.4 2.8 8.6 5.3 0.4 13.9
1093

Phosphorus hexafluoride, anion

18.0 -3.8 28.1 13.5 39.5 17.5 152.3
1094

Phosphorus nitride

18.2 13.3 -5.8 -9.9 4.2 -10.3 -8.9
1095

Phosphorus oxybromide

-1.9 3.1 1.7 16.7 2.2 68.0 68.3
1096

Phosphorus oxychloride

3.0 11.0 5.9 -7.4 7.8 14.8 53.2
1097

Phosphorus oxyfluoride

-3.8 2.6 8.0 -8.2 6.8 -3.3 90.0
1098

Phosphorus pentachloride

21.5 -4.5 3.4 -25.5 13.9 14.3 44.1
1099

Phosphorus pentafluoride

10.3 1.5 22.7 -5.8 25.9 1.7 132.3
1100

Phosphorus pentoxide

-18.0 -19.9 15.6 -80.4 -19.1 -32.5 200.4
1101

Phosphorus thiobromide

20.8 11.6 18.8 59.4 19.7 111.9 85.6
1102

Phosphorus thiochloride

22.6 10.3 11.5 30.8 14.8 58.7 62.6
1103

Phosphorus tribromide

-0.3 -12.1 -12.9 6.7 -10.3 11.5 -3.2
1104

Phosphorus trichloride

5.4 -5.6 -8.6 -19.5 -2.4 -20.1 -27.5
1105

Phosphorus trifluoride

-9.3 0.9 7.5 -23.2 14.0 0.0 -0.3
1106

Phosphorus trioxide

-44.4 -3.0 -10.9 -135.6 -23.7 53.8 -145.8
1107

Phosphorus trioxide, anion

-36.2 -21.7 -6.5 -7.2 5.2 -13.1 49.6
1108

Phthalazine

-9.4 -7.7 -1.8 -6.7 -2.9 -6.2 -19.9
1109

Piperazine

-0.8 -4.6 3.4 -10.0 -1.1 -8.5 -8.9
1110

Piperidine

-2.5 -4.8 -0.4 -7.5 -0.6 -10.5 -7.3
1111

Proline

-4.7 -8.3 2.6 -12.3 -9.1 -10.7 -13.5
1112

Propanal

-0.5 3.0 -1.0 -3.9 -0.4 -2.9 -1.9
1113

Propanamide

1.4 3.8 2.0 6.8 -2.3 5.4 10.2
1114

Propane

1.7 3.9 -4.5 1.2 2.1 0.5 -0.1
1115

Propane-1,3-dithiol

-0.5 -1.6 -10.2 0.6 -14.1 -4.4 -4.4
1116

Propanediamide

-0.3 2.3 5.7 11.2 -7.3 8.3 17.3
1117

Propanol

-1.0 -0.2 1.6 -2.5 3.6 -9.4 -6.4
1118

Propene

-0.7 0.7 -1.3 1.5 4.2 1.7 0.1
1119

Propionic acid

1.7 3.2 0.8 2.0 -3.3 -0.7 2.7
1120

Propyl (E)-2-butenoate

0.1 0.0 -7.1 6.1 -11.6 1.2 5.9
1121

Propyl nitrite

-3.8 -1.1 -4.0 8.1 2.8 -17.3 -18.5
1122

Propylene glycol

-11.3 -3.4 10.3 -1.0 7.6 -11.5 -4.8
1123

Propyne

1.6 1.0 3.3 -4.2 5.8 -1.0 -3.0
1124

Pyrazine

-2.6 0.7 -1.3 -7.6 -4.4 -2.8 -9.2
1125

Pyrazine-1,4-dioxide

-3.6 -3.3 3.0 3.0 25.6 25.5 35.4
1126

Pyrene

8.7 7.5 -4.8 10.0 1.8 13.2 6.6
1127

Pyridazine

-13.3 -11.3 -2.3 -10.6 -3.3 -11.2 -23.0
1128

Pyridine

-2.9 -0.7 -4.6 -4.3 -4.5 -2.6 -5.9
1129

Pyridine 1 oxide

3.0 3.1 5.0 6.2 17.5 18.5 23.4
1130

Pyrrole

0.6 -0.1 3.0 1.1 6.9 13.9 6.5
1131

Pyrrolidine

-4.8 -7.1 -0.3 -11.3 0.1 -9.7 -15.1
1132

Quinazoline

-0.1 3.7 -3.5 -3.7 -8.5 4.9 -7.9
1133

Quinoline

1.8 2.8 -4.5 -0.5 -3.9 4.2 -3.3
1134

Quinoxaline

5.7 7.4 0.4 -1.4 -2.6 8.0 -4.8
1135

Resorcinol

-0.4 -0.3 8.9 0.7 8.3 1.1 -7.0
1136

S-Ethyl trifluorothioacetic acid

-1.4 -5.3 -11.8 8.3 -13.4 3.1 1.4
1137

S2(CN)2

-11.1 -3.6 7.3 -4.0 -9.2 -18.2 -11.8
1138

Sec-butyl nitrite

-3.4 -0.8 -3.9 12.0 2.9 -12.4 -11.7
1139

Serine

-2.8 -3.8 8.2 -7.2 -4.6 -17.0 -7.8
1140

Spiro(4-5)decane

-2.4 -4.6 -0.9 -7.8 0.8 -15.1 -2.6
1141

Spiropentane

-5.8 -11.1 -2.0 -1.3 4.0 6.1 -10.7
1142

Stilbene

6.3 7.3 -0.6 7.6 4.4 7.3 9.9
1143

Styrene

1.4 2.6 -2.0 3.8 2.6 3.3 2.2
1144

Succinimide

-1.3 -2.0 0.0 1.8 -11.0 12.3 2.0
1145

Succinonitrile

-1.4 0.8 5.4 7.1 -12.2 -4.9 -1.3
1146

Tartronic acid

-1.8 11.7 15.2 2.5 -2.0 -3.5 1.2
1147

Teraphthalamide

6.2 9.2 7.0 14.9 -7.2 15.9 16.5
1148

Tetra-tert-butyltetrahedrane

20.0 9.5 22.1 34.1 32.6 73.2 74.7
1149

Tetrachloroethylene

-3.8 -5.4 -3.5 -5.4 -5.0 -9.8 -5.3
1150

Tetracyanoethylene

-10.5 -7.8 10.2 0.5 -18.5 -16.2 -20.6
1151

Tetradecane

0.2 3.3 -10.9 -4.1 -8.6 -20.4 2.4
1152

Tetradecanenitrile

-0.6 2.6 -5.4 0.6 -15.3 -20.7 3.4
1153

Tetradecylcyclohexane

0.4 1.8 -10.0 -7.0 -11.2 -31.9 4.2
1154

Tetraethylpyromellitate

16.6 19.3 -3.8 37.7 -32.4 35.4 38.9
1155

Tetrafluoroethylene

-8.6 -11.2 -2.7 -10.4 6.1 -17.3 -17.8
1156

Tetrahydrofuran

-5.0 -7.3 -3.1 -7.4 -2.4 -14.4 -15.3
1157

Tetrahydropyran

-2.6 -5.0 -4.1 -4.1 -3.2 -13.7 -8.7
1158

Tetrahydrothiophene

-2.2 -4.2 -8.1 -2.3 -7.4 -8.5 -16.1
1159

Tetrahydrotriquinacene

-3.6 -8.5 5.6 -10.5 5.0 -11.7 -13.8
1160

Tetraisobutylsuccinonitrile

-4.5 -0.4 12.0 13.3 -2.7 6.0 76.2
1161

Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamine

-9.2 -11.4 -13.5 -19.7 17.5 18.5 -1.6
1162

Tetralin

-1.5 -2.0 -3.3 -2.3 0.0 -6.1 -5.0
1163

Tetramethoxymethane

3.1 -5.3 -6.2 -4.5 -18.1 -25.4 -7.5
1164

Tetramethylbutanedinitrile

1.3 3.5 9.7 16.3 -7.2 11.4 32.7
1165

Tetramethyldiazetine

9.2 3.6 5.5 -1.5 4.7 21.4 -2.2
1166

Tetramethylpyrazine

-7.6 -3.9 -7.9 -10.6 -6.2 5.4 -10.5
1167

Tetramethylthiourea

7.4 4.3 -6.5 20.8 -8.2 27.5 25.7
1168

Tetramethylurea

-0.1 4.3 -4.9 0.9 -11.0 25.3 18.4
1169

Tetranitromethane

9.8 15.1 2.4 -12.2 58.3 34.4 76.3
1170

Tetraphenylmethane

2.9 11.1 11.2 20.8 15.5 23.7 41.2
1171

Tetrapropyl 1,2,4,5-benzene tetracarboxylate

12.3 16.0 -10.1 36.1 -42.4 26.1 36.7
1172

Thiacyclohexane

-0.8 -2.7 -8.3 -0.7 -8.0 -8.8 -13.0
1173

Thiirane

3.9 5.4 -8.7 9.1 -5.7 11.0 -0.9
1174

Thiocyanogen

-4.9 5.8 6.8 -9.7 -1.7 -24.7 0.1
1175

Thioethanol

0.3 0.8 -6.4 2.2 -4.7 0.4 -2.4
1176

Thioformaldehyde

9.6 13.3 -3.1 13.3 -0.8 5.6 3.5
1177

Thiolacetic acid

-2.6 -4.7 -5.3 4.6 -5.2 4.3 2.2
1178

Thiomethanol

0.2 2.0 -5.9 -0.1 -4.0 1.0 -1.9
1179

Thiophene

2.0 3.0 -2.5 3.1 1.3 -0.2 -1.2
1180

Thiophenol

-3.8 -2.8 -5.5 0.7 -4.3 -1.2 -3.5
1181

Thiourea

14.5 11.5 9.6 32.0 0.6 15.8 24.0
1182

Thioxanthone

-4.1 -3.5 -8.7 5.3 -10.2 1.8 -6.4
1183

Threonine

-5.6 -6.6 8.7 -3.2 -5.1 -12.4 -1.3
1184

Thymine

-3.9 -4.4 -2.8 2.0 -16.2 17.3 5.9
1185

Toluene

1.2 2.2 -3.3 2.0 1.8 2.4 1.5
1186

Toluenethiol

-3.3 -2.7 -7.9 1.4 -8.0 -1.3 -3.4
1187

Tri-isopropyl phosphite

-8.9 2.4 6.2 8.0 1.7 15.2 -3.7
1188

Tri-t-butylmethane

6.7 4.0 16.1 6.1 30.3 22.7 88.6
1189

Trichloroacetyl chloride

-11.8 -8.7 -1.9 -21.5 -7.4 4.3 11.0
1190

Trichlorobromomethane

0.0 5.8 -0.5 -4.8 -1.4 -5.4 -5.8
1191

Trichloroethylene

-1.6 -3.1 -3.6 -0.4 -4.5 -6.4 -4.4
1192

Tricyclo[6.2.0.0]deca-1(8),2,6-triene

-2.5 -11.8 -4.1 -2.6 3.9 14.9 -19.9
1193

Tricyclo[8.2.2.2]-hexadecane

1.5 -6.4 20.2 -3.3 26.4 -15.7 24.0
1194

Tridecane

0.4 3.4 -10.3 -3.6 -7.6 -18.5 2.2
1195

Triethyl 1,1,1-ethanetricarboxylate

4.3 6.8 -10.8 25.6 -33.8 18.7 34.7
1196

Triethyl methanetricarboxylate

4.1 3.1 -11.3 21.1 -35.1 13.1 21.7
1197

Triethyl phosphite

-9.9 2.9 3.3 -6.4 2.2 -10.8 -25.8
1198

Triethylamine

1.0 -1.0 -4.2 -3.6 -1.2 3.7 8.4
1199

Triethylenediamine

-10.8 -16.5 2.4 -18.9 -1.4 -0.8 -2.3
1200

Trifluoroacetic acid

13.8 15.9 13.0 10.9 6.5 12.2 17.2
1201

Trifluoroacetonitrile

0.0 -2.5 3.1 3.3 -4.0 -1.1 5.1
1202

Trifluorochloromethane

0.6 -2.5 -0.2 -0.1 0.6 6.5 9.6
1203

Trifluoroethylene

-4.7 -7.7 -0.9 -4.2 6.5 -13.3 -13.8
1204

Trifluoromethane

9.2 3.6 2.0 4.3 3.3 -6.2 2.5
1205

Trifluoromethylbenzene

5.8 3.9 -0.9 8.1 -0.3 8.7 15.4
1206

Trifluoromethylisocyanide

-12.1 -7.6 -1.3 3.4 -14.9 10.9 9.2
1207

Trimethoxymethane

-2.6 -9.2 -6.4 -5.8 -12.5 -23.9 -8.9
1208

Trimethoxymethyl benzene

-0.1 -3.2 -3.2 3.3 -10.0 -9.4 5.4
1209

Trimethyl isoxazole

-1.8 -0.6 -9.5 12.1 -3.4 24.2 -8.7
1210

Trimethyl methanetricarboxylate

2.1 0.8 -12.7 7.4 -35.6 2.5 9.4
1211

Trimethyl phosphite

-11.0 1.9 2.1 -23.5 0.6 -19.0 -36.9
1212

Trimethyl pyrazine

-3.0 0.5 -3.1 -6.4 -4.1 6.5 -7.3
1213

Trimethylamine

-0.5 1.2 -3.7 -5.2 -0.4 3.9 2.8
1214

Trimethylene oxide

-6.1 -9.8 -3.2 -7.5 -0.9 -6.3 -18.0
1215

Trimethylphosphine

-0.9 -7.8 -13.0 -7.4 -2.6 0.5 -25.8
1216

Trimethylphosphine oxide

15.0 6.5 4.8 19.4 10.9 0.6 59.2
1217

Trimethylphosphine-N-ethylimine

-1.7 -11.6 -4.4 1.0 2.4 -23.8 22.3
1218

Trioctylamine

0.3 4.3 -11.4 -10.7 -15.8 -25.6 15.0
1219

Triphenylamine

1.3 1.9 1.0 6.2 2.9 20.1 15.6
1220

Triphenylphosphine

-5.5 -11.0 -11.1 11.5 -5.0 20.5 -27.1
1221

Tris(diethylamino)phosphine

7.4 -15.3 7.1 -11.9 9.1 23.9 -11.7
1222

Tropolone

5.9 6.3 8.6 7.3 13.2 8.3 -2.9
1223

Tryptophan

-0.6 -3.6 6.5 -1.8 -5.0 8.1 3.3
1224

Tyrosine

-5.1 -5.4 6.2 -6.5 -6.7 -10.1 -5.5
1225

Undecafluoropiperidine

1.3 -1.1 -7.2 -3.0 -8.2 46.5 44.3
1226

Undecane

0.7 3.5 -9.1 -2.5 -5.6 -14.6 1.8
1227

Undecylcyclohexane

0.9 2.0 -8.2 -5.5 -8.0 -26.1 3.6
1228

Uracil

-1.7 -3.2 0.8 4.6 -13.5 18.5 7.6
1229

Urea

7.1 9.4 10.4 11.7 -0.1 13.7 13.8
1230

Urethane

6.6 7.0 0.7 12.0 -9.5 9.6 12.3
1231

Valine

-0.1 -0.6 3.1 -0.6 -6.2 -6.3 7.1
1232

Vinylacetylene

-3.1 -3.7 0.1 -6.5 2.6 -4.9 -7.3
1233

Water

0.0 3.5 13.7 4.4 15.3 -1.4 -3.1
1234

Xanthone

3.0 3.2 -7.7 7.3 -9.5 16.5 1.1
1235

[2.2]Metacyclophane

-4.3 -1.9 14.5 11.8 23.7 8.8 17.9
1236

[2.2]Paracyclophane

-10.9 -7.5 6.9 2.0 18.5 1.4 8.1
1237

[3.3]Paracyclophane

-12.2 -7.3 -0.9 -1.3 5.3 -4.5 6.0
1238

a-Benzoquinoline

4.1 4.5 -5.3 2.5 -4.7 8.3 0.0
1239

a-Cyanoacetophenone

0.3 3.6 1.1 5.9 -10.7 2.5 5.4
1240

a-Phenyl-1-piperidineacetonitrile

3.1 1.7 3.8 2.4 -9.3 3.7 8.1
1241

alpha N,N-dimethylamino phenylacetonitrile

-5.8 -4.3 -1.6 -4.5 -8.7 2.4 6.2
1242

alpha-Methyl styrene

-1.3 0.0 -2.0 2.6 2.9 4.0 2.2
1243

alpha-oxo Benzeneacetonitrile

0.9 3.7 -1.2 1.2 -10.4 1.0 -0.5
1244

beta-Alanine

3.4 3.6 7.7 1.7 -2.3 -4.0 1.9
1245

beta-Cyanopropiophenone

1.1 4.4 0.4 8.2 -12.6 2.6 9.4
1246

beta-Propiolactone

6.8 1.6 -3.0 5.3 -4.1 13.4 -1.3
1247

chlorobenzene

0.1 0.7 -4.6 3.6 -2.8 1.7 0.4
1248

cis Dimethylthiirane

4.8 3.8 -7.9 13.2 -4.3 15.0 2.0
1249

cis Octahydro-2H-inden-2-one

-3.5 -6.6 5.7 -6.1 1.9 -11.2 -4.6
1250

cis-1,2-Epoxycycloheptane

4.5 2.8 2.3 7.6 4.5 2.6 0.7
1251

cis-1,2-Epoxycyclooctane

6.9 5.0 7.7 10.3 10.7 3.7 5.2
1252

cis-2,3-Epoxybicyclo[2.2.1]heptane

10.8 9.1 3.9 13.7 5.4 17.5 15.7
1253

cis-2,4-Dimethyl-1,3-dioxane

-1.5 -5.1 -4.2 4.9 -7.3 -6.4 1.5
1254

cis-2-Butene

-2.2 -0.6 -0.2 -0.7 5.7 -0.3 -2.5
1255

cis-2-Pentene

-2.8 -1.0 -3.3 -1.6 3.5 -2.9 -2.7
1256

cis-Azobenzene

-17.7 -15.8 -0.6 -14.9 0.1 -12.3 -24.3
1257

cis-Bicyclo[3.3.0]-octan-2-one

-3.0 -5.2 5.7 -7.0 2.1 -8.6 -9.0
1258

cis-Decalin

6.5 4.3 7.8 3.2 9.6 -10.0 3.2
1259

cis-Dichloroethylene

-0.8 -0.1 -3.9 3.0 -3.6 -4.3 -3.7
1260

cis-Dimethylcyclopropane

-1.5 -3.5 -3.5 0.1 2.4 3.4 -3.5
1261

cis-Perfluorobicyclo[4,3,0]nonane

-7.5 -4.3 4.1 17.3 2.3 58.3 101.7
1262

cis-cis-trans-1,3,5-Trimethyl cyclohexane

4.0 3.4 -0.5 1.9 3.2 -3.2 11.6
1263

gamma Butyrolactone

-1.4 -4.3 -5.1 -4.5 -9.0 -4.5 -7.0
1264

gamma Hexachlorocyclohexane

-5.2 3.5 6.1 18.2 -10.3 6.3 18.2
1265

gem-Difluoroethylene

6.9 3.9 8.5 7.5 15.2 -2.2 -3.2
1266

m-Amino phenol

-1.9 -2.5 7.9 -0.6 6.4 -0.6 -2.9
1267

m-Aminobenzoic acid

2.1 2.6 2.9 0.8 -4.3 -0.1 2.1
1268

m-Cresol

-0.3 -0.1 2.7 0.9 5.5 2.0 -2.3
1269

m-Dicyanobenzene

-0.5 1.8 2.4 8.2 -13.9 -0.7 -2.9
1270

m-Dinitrobenzene

6.0 6.0 -5.7 -2.2 15.8 21.7 47.2
1271

m-Hydroxybiphenyl

-4.7 -3.6 -3.8 -2.2 -2.4 -1.7 -6.9
1272

m-Methylbenzoic acid

2.6 3.9 -1.4 2.7 -5.6 2.7 4.9
1273

m-Nitroaniline

1.7 1.5 -0.8 -2.5 9.9 9.0 21.5
1274

m-Nitrophenol

0.0 1.0 -2.8 -4.4 8.7 7.7 16.0
1275

m-Salicylic acid

1.9 3.7 2.9 1.2 -3.6 0.5 -0.9
1276

m-Toluidine

-3.4 -3.9 -0.3 -2.7 1.8 -1.7 -0.5
1277

m-Xylene

-0.8 -0.2 -3.6 0.6 2.2 2.6 1.7
1278

m-tert-Butylphenol

-2.6 -1.6 1.0 0.5 4.0 3.5 12.1
1279

meso-3,4-Dicyclohexyl-2,5-dimethylhexane

-9.9 -8.9 -3.2 -14.7 0.9 -23.5 35.6
1280

n-Butane

2.1 4.3 -4.6 1.2 1.7 -0.8 0.6
1281

n-Butyl nitrite

-2.3 0.4 -2.0 9.1 3.4 -17.7 -16.8
1282

n-Decane

0.9 3.6 -8.5 -2.0 -4.6 -12.7 1.6
1283

n-Dodecylcyclopentane

-2.7 -1.8 -8.6 -9.7 -8.8 -29.4 -4.2
1284

n-Duodecane

0.3 3.2 -10.0 -3.3 -6.9 -16.8 1.7
1285

n-Heptane

1.4 3.8 -6.7 -0.6 -1.6 -6.9 0.9
1286

n-Heptanenitrile

0.7 3.3 -1.0 4.2 -8.1 -7.1 2.1
1287

n-Heptanol

-0.1 1.2 0.1 -2.7 0.0 -15.8 -5.5
1288

n-Heptyl cyanide

0.3 3.0 -1.8 3.5 -9.4 -9.2 2.1
1289

n-Hexadecylcyclohexane

0.0 1.6 -11.2 -8.0 -13.2 -35.8 4.6
1290

n-Hexane

1.6 3.9 -6.1 -0.1 -0.6 -5.0 0.7
1291

n-Nonane

1.0 3.6 -7.9 -1.6 -3.7 -10.8 1.3
1292

n-Nonyl cyanide

-0.1 2.8 -3.1 2.4 -11.5 -13.1 2.4
1293

n-Nonylcyclohexane

1.2 2.2 -6.9 -4.5 -6.1 -22.2 3.2
1294

n-Nonylcyclopentane

-2.2 -1.6 -6.8 -8.2 -5.8 -23.6 -4.8
1295

n-Octane

1.3 3.8 -7.2 -1.0 -2.5 -8.8 1.2
1296

n-Octylamine

-0.1 0.7 -1.4 -2.2 -2.5 -13.2 -0.5
1297

n-Pentane

1.8 4.1 -5.4 0.6 0.5 -2.9 0.6
1298

n-Pentylmalonodinitrile

-1.1 1.5 5.2 6.2 -13.2 -9.3 1.8
1299

n-Perfluorobutane

6.4 5.4 -1.4 4.3 -5.9 21.3 45.9
1300

n-Propylamine

0.6 1.1 1.1 -1.1 2.4 -5.3 -1.5
1301

n-Tetradecylcyclopentane

-3.1 -2.0 -9.8 -10.7 -10.8 -33.3 -3.8
1302

n-Tridecylcyclohexane

0.5 1.9 -9.4 -6.5 -10.2 -30.0 4.0
1303

n-Tridecylcyclopentane

-2.9 -1.9 -9.2 -10.2 -9.8 -31.3 -3.9
1304

n-Undecanenitrile

0.0 3.0 -3.4 2.2 -12.2 -14.8 2.9
1305

n-Undecylcyclopentane

-2.6 -1.7 -8.0 -9.2 -7.8 -27.5 -4.4
1306

o-Amino phenol

4.5 4.3 9.2 3.2 8.0 1.9 -1.3
1307

o-Aminobenzoic acid

-0.4 0.2 3.6 3.5 -2.5 -0.1 4.8
1308

o-Cresol

-0.1 1.5 1.1 1.0 4.3 1.6 -2.0
1309

o-Dicyanobenzene

0.0 2.3 2.9 8.7 -12.3 -0.2 -2.6
1310

o-Dinitrobenzene

3.9 5.1 -4.1 -5.1 19.1 18.2 37.6
1311

o-Hydroxybiphenyl

-2.1 0.1 -0.8 1.5 1.0 1.5 -4.8
1312

o-Methylbenzoic acid

1.5 2.3 -0.3 2.9 -3.7 2.9 9.4
1313

o-Nitrophenol

-8.3 -0.4 -3.6 -2.6 10.0 10.5 22.9
1314

o-Salicylic acid

-4.2 5.1 5.4 5.5 0.0 5.6 7.8
1315

o-Toluidine

0.4 0.8 1.7 0.4 4.4 0.4 3.4
1316

o-Xylene

-0.2 1.2 -3.7 0.9 2.5 2.8 3.7
1317

o-sec-Butylphenol

0.0 1.2 3.4 1.1 7.0 1.6 7.6
1318

o-tert-Butylphenol

3.5 4.8 9.3 9.6 13.2 10.3 22.0
1319

p-Amino phenol

0.0 0.2 8.4 -1.7 8.0 -1.4 -4.3
1320

p-Aminobenzoic acid

-0.2 -0.1 2.0 0.9 -5.2 -0.6 4.0
1321

p-Benzoquinone

0.9 1.6 -1.1 -2.3 -6.8 4.1 -3.6
1322

p-Cresol

-1.3 -0.2 1.2 -1.1 4.3 0.1 -4.7
1323

p-Diacetylbenzene diethyl ketal

-2.3 -4.7 3.8 20.9 -2.9 15.2 39.5
1324

p-Dicyanobenzene

0.4 2.7 3.1 9.1 -12.8 0.4 -1.8
1325

p-Dinitrobenzene

4.0 4.8 -7.6 -3.3 14.5 19.8 45.3
1326

p-Fluorobenzoic acid

6.3 7.2 0.7 9.4 -2.9 6.2 7.3
1327

p-Hydroxybiphenyl

0.5 2.0 1.3 2.8 3.0 3.1 -2.2
1328

p-Methylbenzoic acid

2.5 3.2 -1.2 3.1 -5.6 3.0 5.3
1329

p-Nitroaniline

-0.3 -1.1 -1.1 -2.6 9.0 8.3 23.6
1330

p-Nitrobenzoic acid

0.1 1.8 -8.3 -4.2 -4.4 6.5 21.6
1331

p-Nitrophenol

-0.7 -0.8 -2.5 -4.4 8.0 7.7 16.1
1332

p-Nitrotoluene

0.2 -0.2 -7.0 -2.8 6.3 9.8 22.3
1333

p-Quaterphenyl

-1.1 1.3 -8.1 5.5 -5.7 7.0 3.9
1334

p-Salicylic acid

5.3 6.2 7.0 5.7 -0.3 4.7 3.1
1335

p-Terphenyl

1.4 3.3 -5.4 5.8 -2.4 6.3 4.0
1336

p-Toluidine

2.3 2.5 4.8 2.0 7.1 2.9 3.7
1337

p-Tolyl methyl sulfone

-4.3 -6.0 24.8 14.1 27.1 17.0 143.5
1338

p-Xylene

-0.6 0.4 -3.7 0.4 2.2 2.4 1.3
1339

p-sec-Butylphenol

-0.6 1.4 1.5 0.4 4.2 -0.1 2.2
1340

p-tert-Butyl benzoic acid

3.9 5.5 1.1 5.5 -3.2 8.4 23.4
1341

p-tert-Butyl phenol

-1.5 -0.4 1.6 -0.3 4.8 3.8 11.8
1342

sec-Butyl-tert-butyl ether

4.2 3.6 0.2 11.4 2.7 9.2 25.6
1343

t-Butanol

-0.1 -0.4 4.0 3.4 6.0 3.0 10.4
1344

t-Butyl acetate

2.1 0.4 -1.5 15.2 -4.5 16.3 26.8
1345

t-Butyl ethyl ketone

0.8 4.2 -0.8 3.3 -0.5 7.5 19.8
1346

t-Butyl isopropyl ether

1.8 0.8 -0.2 10.7 2.6 11.8 25.0
1347

t-Butyl methyl ether

-0.4 -2.0 -2.2 3.6 1.1 2.9 13.2
1348

t-Butyl nitrite

-2.0 -0.8 -0.5 15.8 5.8 -4.9 -1.6
1349

t-Butylamine

4.7 2.8 4.6 3.6 5.7 7.5 13.4
1350

t-Butyldifluoroamine

10.1 8.3 -1.1 14.3 11.4 17.0 24.8
1351

t-Butylmalononitrile

3.4 4.9 12.1 15.2 -4.7 7.2 22.2
1352

t-Butylnitrile

2.3 3.6 3.1 8.5 -3.0 6.3 13.3
1353

tert-Butyl benzene

4.0 5.5 0.2 5.6 5.4 8.9 20.8
1354

tert-Butyl ether

-2.2 -4.6 -0.6 8.2 3.2 14.7 34.6
1355

tert-Butyl isobutyl ether

1.4 0.8 -2.6 9.1 -0.2 8.0 22.8
1356

tert-Pentyl nitrite

-1.2 0.6 0.2 16.7 6.7 -5.3 1.6
1357

trans 4,5-Dimethyl-1,3-dioxane

-2.5 -6.8 -2.7 -0.3 -5.6 -12.6 0.2
1358

trans Glyoxal

-1.8 4.9 -1.1 -13.7 -6.0 -8.1 -10.7
1359

trans Octahydro-2H-inden-2-one

-3.6 -6.3 0.2 -6.2 -3.8 -9.6 -2.5
1360

trans dimethylthiirane

5.7 4.7 -7.5 14.2 -4.0 15.8 3.0
1361

trans-2-Butene

-2.1 -0.5 -2.4 -0.8 3.5 -0.4 -2.1
1362

trans-2-Pentene

-1.9 -0.1 -3.0 -0.9 2.5 -1.9 -2.3
1363

trans-Bicyclo[3.3.0]-octan-2-one

4.2 2.1 8.6 0.9 5.9 1.4 1.3
1364

trans-Decalin

3.1 1.3 -0.4 -1.1 0.8 -12.8 1.6
1365

trans-Dichloroethylene

-1.4 -2.6 -4.0 2.3 -4.0 -4.7 -5.0
1366

trans-Perfluorobicyclo[4,3,0]nonane

-6.3 -3.6 7.5 23.9 5.8 60.9 104.8