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:822
Name:2,2,3-Trimethyl-3-pentanol
Description:
Labels:
CAS:7294-05-5
InChi Code:InChI=1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.27

experimental value

-2.36

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