10967/188 - QDB Compounds

QsarDB Repository

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:853
Name:3-Methyl-3-hexanol
Description:In original publication melting point for this compound was denoted as <25C.
Labels:
CAS:597-96-6
InChi Code:InChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1

experimental value

-1.56

Eq.1: General solubility equation (Test set to verify GSE)