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

Search

Chemical search

Advanced Search

Browse

All of QsarDB
Communities & Collections By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type
This Collection
By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type

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.

Bibliography

Search

Browse

All of QsarDB

This Collection

My Account