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Modarresi, H.; Modarress, H.; Dearden, J.C. Henry’s law constant of hydrocarbons in air–water system: The cavity ovality effect on the non-electrostatic contribution term of solvation free energy. SAR QSAR Environ. Res. 2005, 16, 461–482.

189 compounds | Property lnH: Henry's law constant as lnH

ID Name lnH Details
1 1,3-Butadiene i 3.6 View
2 1,4-Pentadiene i 3.82 View
3 1,5-Hexadiene i 3.81 View
4 1-Butene i 4.13 View
5 1-Heptene i 4.35 View
6 1-Heptyne i 3.59 View
7 1-Hexene i 4.21 View
8 1-Hexyne i 3.35 View
9 1-Octene i 4.54 View
10 1-Pentene i 4.35 View
11 1-Pentyne i 3.14 View
12 2,2,3,3,4-Pentamethylpentane i 5.91 View
13 2,2,3,3-Tetramethylhexane i 5.81 View
14 2,2,3,3-Tetramethylpentane i 5.65 View
15 2,2,3,4,4-Pentamethylpentane i 5.88 View
16 2,2,3,4-Tetramethylhexane i 5.8 View
17 2,2,3,4-Tetramethylpentane i 5.59 View
18 2,2,3,5-Tetramethylhexane i 5.68 View
19 2,2,3-Trimethylbutane i 5.12 View
20 2,2,3-Trimethylheptane i 5.73 View
21 2,2,3-Trimethylhexane i 5.56 View
22 2,2,3-Trimethylpentane i 5.36 View
23 2,2,4,4-Tetramethylhexane i 5.82 View
24 2,2,4,4-Tetramethylpentane i 5.52 View
25 2,2,4,5-Tetramethylhexane i 5.7 View
26 2,2,4-Trimethylheptane i 5.66 View
27 2,2,4-Trimethylhexane i 5.5 View
28 2,2,4-Trimethylpentane i 5.28 View
29 2,2,5,5-Tetramethylhexane i 5.59 View
30 2,2,5-Trimethylheptane i 5.68 View
31 2,2,5-Trimethylhexane i 5.48 View
32 2,2,6-Trimethylheptane i 5.64 View
33 2,2-Dimethyl-3-ethylpentane i 5.56 View
34 2,2-Dimethylbutane i 4.93 View
35 2,2-Dimethylheptane i 5.51 View
36 2,2-Dimethylhexane i 5.31 View
37 2,2-Dimethylpentane i 5.24 View
38 2,3,3,4-Tetramethylhexane i 5.84 View
39 2,3,3,4-Tetramethylpentane i 5.66 View
40 2,3,3,5-Tetramethylhexane i 5.74 View
41 2,3,3-Trimethyl-1-butene i 4.45 View
42 2,3,3-Trimethylheptane i 5.76 View
43 2,3,3-Trimethylhexane i 5.6 View
44 2,3,3-Trimethylpentane i 5.41 View
45 2,3,4,4-Tetramethylhexane i 5.82 View
46 2,3,4,5-Tetramethylhexane i 5.73 View
47 2,3,4-Trimethylheptane i 5.74 View
48 2,3,4-Trimethylhexane i 5.6 View
49 2,3,4-Trimethylpentane i 4.99 View
50 2,3,5-Trimethylheptane i 5.76 View
51 2,3,5-Trimethylhexane i 5.52 View
52 2,3,6-Trimethylheptane i 5.69 View
53 2,3-Dimethyl-1,3-butadiene i 3.83 View
54 2,3-Dimethyl-1-butene i 4.29 View
55 2,3-Dimethyl-2-butene i 4.33 View
56 2,3-Dimethylbutane i 4.86 View
57 2,3-Dimethylheptane i 5.58 View
58 2,3-Dimethyloctane i 5.72 View
59 2,4,4-Trimethyl-1-pentene i 4.66 View
60 2,4,4-Trimethyl-2-pentene i 4.65 View
61 2,4,4-Trimethylheptane i 5.7 View
62 2,4,4-Trimethylhexane i 5.56 View
63 2,4,5-Trimethylheptane i 5.71 View
64 2,4,6-Trimethylheptane i 5.62 View
65 2,4-Dimethyl-3-ethylpentane i 5.59 View
66 2,4-Dimethyl-3-isopropylpentane i 5.78 View
67 2,4-Dimethylheptane i 5.5 View
68 2,4-Dimethyloctane i 5.66 View
69 2,4-Dimethylpentane i 5.21 View
70 2,5,5-Trimethylheptane i 5.69 View
71 2,5-Dimethylhexane i 5.31 View
72 2,5-Dimethyloctane i 5.68 View
73 2,6-Dimethylheptane i 5.52 View
74 2,6-Dimethyloctane i 5.7 View
75 2,7-Dimethyloctane i 5.67 View
76 2-Ethyl-1-butene i 4.3 View
77 2-Ethyl-1-pentene i 4.53 View
78 2-Hexyne i 3.34 View
79 2-Methyl-1-butene i 4.21 View
80 2-Methyl-1-hexene i 4.5 View
81 2-Methyl-1-pentene i 4.19 View
82 2-Methyl-2,3-butadiene i 3.63 View
83 2-Methyl-2-butene i 4.2 View
84 2-Methyl-2-pentene i 4.31 View
85 2-Methylheptane i 5.36 View
86 2-Methylhexane i 5.28 View
87 2-Methylnonane i 5.67 View
88 2-Methyloctane i 5.55 View
89 2-Methylpentane i 4.98 View
90 2-Pentyne i 3.15 View
91 3,3,4,4-Tetramethylhexane i 5.91 View
92 3,3,4-Trimethylheptane i 5.78 View
93 3,3,4-Trimethylhexane i 5.63 View
94 3,3,5-Trimethylheptane i 5.74 View
95 3,3-Diethyl-2-methylpentane i 5.86 View
96 3,3-Diethylhexane i 5.81 View
97 3,3-Diethylpentane i 5.69 View
98 3,3-Dimethyl-1-butene i 4.28 View
99 3,3-Dimethylhexane i 5.36 View
100 3,3-Dimethyloctane i 5.73 View
101 3,3-Dimethylpentane i 5.01 View
102 3,4,4-Trimethylheptane i 5.78 View
103 3,4,5-Trimethylheptane i 5.77 View
104 3,4-Diethylhexane i 5.77 View
105 3,4-Dimethylheptane i 5.58 View
106 3,4-Dimethyloctane i 5.73 View
107 3,5-Dimethylheptane i 5.53 View
108 3,5-Dimethyloctane i 5.7 View
109 3,6-Dimethyloctane i 5.7 View
110 3-Ethyl-1-pentene i 4.45 View
111 3-Ethyl-2,2,3-trimethylpentane i 5.92 View
112 3-Ethyl-2,2,4-trimethylpentane i 5.78 View
113 3-Ethyl-2,3,4-trimethylpentane i 5.89 View
114 3-Ethyl-2,3-dimethylpentane i 5.67 View
115 3-Ethyl-2-2-dimethylhexane i 5.75 View
116 3-Ethyl-2-3-dimethylhexane i 5.81 View
117 3-Ethyl-2-4-dimethylhexane i 5.76 View
118 3-Ethyl-2-5-dimethylhexane i 5.71 View
119 3-Ethyl-2-methylheptane i 5.73 View
120 3-Ethyl-2-methylhexane i 5.56 View
121 3-Ethyl-2-methylpentane i 5.38 View
122 3-Ethyl-3-4-dimethylhexane i 5.8 View
123 3-Ethyl-3-methylheptane i 5.78 View
124 3-Ethyl-3-methylhexane i 5.61 View
125 3-Ethyl-4-methylheptane i 5.75 View
126 3-Ethyl-4-methylhexane i 5.59 View
127 3-Ethyl-5-methylheptane i 5.69 View
128 3-Ethylheptane i 5.58 View
129 3-Ethylpentane i 5.16 View
130 3-Hexyne i 3.32 View
131 3-Isopropyl-2-methylhexane i 5.86 View
132 3-Methyl-1-butene i 4.46 View
133 3-Methyl-1-hexene i 4.45 View
134 3-Methyl-1-pentene i 4.29 View
135 3-Methyl-3-ethylpentane i 5.42 View
136 3-Methylheptane i 5.31 View
137 3-Methylhexane i 5.23 View
138 3-Methylnonane i 5.71 View
139 3-Methyloctane i 5.57 View
140 3-Methylpentane i 4.82 View
141 4,4-Dimethylheptane i 5.56 View
142 4,4-Dimethyloctane i 5.72 View
143 4,5-Dimethyloctane i 5.73 View
144 4-Ethyl-2-2-dimethylhexane i 5.66 View
145 4-Ethyl-2-3-dimethylhexane i 5.76 View
146 4-Ethyl-2-4-dimethylhexane i 5.78 View
147 4-Ethyl-2-methylheptane i 5.69 View
148 4-Ethyl-2-methylhexane i 5.52 View
149 4-Ethyl-3-3-dimethylhexane i 5.81 View
150 4-Ethyl-3-methylheptane i 5.75 View
151 4-Ethyl-4-methylheptane i 5.76 View
152 4-Ethylheptane i 5.57 View
153 4-Ethyloctane i 5.71 View
154 4-Isopropylheptane i 5.72 View
155 4-Methyl-1-hexene i 4.47 View
156 4-Methyl-1-pentene i 4.54 View
157 4-Methyl-cis-2-pentene i 4.29 View
158 4-Methylheptane i 5.36 View
159 4-Methylnonane i 5.72 View
160 4-Methyloctane i 5.75 View
161 4-Methyl-trans-2-pentene i 4.29 View
162 4-Propylheptane i 5.66 View
163 5-Ethyl-2-methylheptane i 5.71 View
164 5-Methylnonane i 5.69 View
165 cis-2-Butene i 4.12 View
166 cis-2-Heptene i 4.56 View
167 cis-2-Hexene i 4.32 View
168 cis-2-Pentene i 4.1 View
169 cis-3-Heptene i 4.54 View
170 cis-3-Hexene i 4.31 View
171 Ethane i 4.43 View
172 Isobutane i 4.81 View
173 Isobutene i 4.06 View
174 Isopentane i 4.88 View
175 Isoprene i 3.71 View
176 n-Butane i 4.71 View
177 Neopentane i 5.07 View
178 n-Heptane i 5.17 View
179 n-Hexane i 4.86 View
180 n-Nonane i 5.53 View
181 n-Pentane i 4.85 View
182 Propane i 4.58 View
183 trans-2-Butene i 4.11 View
184 trans-2-Heptene i 4.55 View
185 trans-2-Hexene i 4.31 View
186 trans-2-Pentene i 4.11 View
187 trans-3-Heptene i 4.53 View
188 trans-3-Hexene i 4.31 View
189 trans-3-Methyl-2-pentene i 4.32 View

Bibliography

  1. Lin, S.-T.; Sandler, S. I. Henry’s law constant of organic compounds in water from a group contribution model with multipole corrections. Chemical Engineering Science 2002, 57, 2727–2733. http://dx.doi.org/10.1016/s0009-2509(02)00157-4

  2. Yao, X.; Liu, M.; Zhang, X.; Hu, Z.; Fan, B. Radial basis function network-based quantitative structure–property relationship for the prediction of Henry’s law constant. Analytica Chimica Acta 2002, 462, 101–117. http://dx.doi.org/10.1016/s0003-2670(02)00273-8