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:775
Name:4,4-Dimethyl-1-pentanol
Description:In original publication melting point for this compound was denoted as <25C.
Labels:
CAS:3121-79-7
InChi Code:InChI=1S/C7H16O/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.55

experimental value

-1.65

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

Links to External Resources