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

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. https://doi.org/10.1016/s0009-2509(02)00157-4
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. https://doi.org/10.1016/s0003-2670(02)00273-8

10967/150 - QDB Compounds

QsarDB Repository

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.

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