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: | 53 | |
|---|---|---|
| Name: | 2,3-Dimethyl-1,3-butadiene | |
| Description: | InChI codes were generated with JChem for Excel | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3 |
Properties
lnH: Henry's law constant as lnH
| Value | Source or prediction |
|---|---|
| 3.83 |
experimental value |
| 4.31 |
Eq16: TSA model for hydrocarbons (Training set) |
| 3.93 |
Eq18: CHSA model for hydrocarbons (Training set) |
| 4.17 |
Eq19: COSA model for hydrocarbons (Training set) |
| 3.91 |
ANN: Neural network model for hydrocarbons (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022046 | US EPA CompTox Dashboard |