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: | 332 | |
|---|---|---|
| Name: | Cis-1,2-dimethylcyclohexane | |
| Description: | ||
| Labels: | ||
| CAS: | 2207-01-4 | |
| InChi Code: | InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+ |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -4.27 |
experimental value |
| -3.89 |
Eq.1: General solubility equation (Test set to verify GSE) |