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: | 888 | |
|---|---|---|
| Name: | 4-Methyl-2-pentanol | |
| Description: | ||
| Labels: | ||
| CAS: | 108-11-2 | |
| InChi Code: | InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -0.8 |
experimental value |
| -1.03 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2026781 | US EPA CompTox Dashboard |