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: | 764 | |
|---|---|---|
| Name: | 3-Methyl-3-heptanol | |
| Description: | ||
| Labels: | ||
| CAS: | 5582-82-1 | |
| InChi Code: | InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -1.6 |
experimental value |
| -2.09 |
Eq.1: General solubility equation (Test set to verify GSE) |