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: | 728 | |
|---|---|---|
| Name: | 3-Methylcyclohexanone | |
| Description: | ||
| Labels: | ||
| CAS: | 591-24-2 | |
| InChi Code: | InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -1.87 |
experimental value |
| -0.88 |
Eq.1: General solubility equation (Test set to verify GSE) |