Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.
Compound
| ID: | 400 | |
|---|---|---|
| Name: | Trans-2-heptene | |
| Description: | ||
| Labels: | ||
| CAS: | 14686-13-6 | |
| InChi Code: | InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+ |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -3.82 |
experimental value |
| -3.41 |
Eq.1: General solubility equation (Test set to verify GSE) |