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:961
Name:1,3-Dichloro-2-propanol
Description:
Labels:
CAS:96-23-1
InChi Code:InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-0.11

experimental value

0.3

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

Links to External Resources