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:763
Name:2,4-Dimethyl-1-pentanol
Description:In original publication melting point for this compound was denoted as <25C.
Labels:
CAS:6305-71-1
InChi Code:InChI=1S/C7H16O/c1-6(2)4-7(3)5-8/h6-8H,4-5H2,1-3H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.6

experimental value

-1.65

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