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: | 953 | |
|---|---|---|
| Name: | 3-Methyl-2-butanol | |
| Description: | In original publication melting point for this compound was denoted as <25C. | |
| Labels: | ||
| CAS: | 598-75-4 | |
| InChi Code: | InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 1.28 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -0.2 |
experimental value |
| -0.5 |
Eq.1: General solubility equation (Test set to verify GSE) |