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.
Compound
| ID: | 166 | |
|---|---|---|
| Name: | cis-2-Heptene | |
| Description: | InChI codes were generated with JChem for Excel | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3- |
Properties
lnH: Henry's law constant as lnH
| Value | Source or prediction |
|---|---|
| 4.56 |
experimental value |
| 5.05 |
Eq16: TSA model for hydrocarbons (Training set) |
| 5.05 |
Eq18: CHSA model for hydrocarbons (Training set) |
| 4.56 |
Eq19: COSA model for hydrocarbons (Training set) |
| 4.49 |
ANN: Neural network model for hydrocarbons (Validation set) |