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:119
Name:2,2',4,4'-Tetrachlorodiphenyl ether
Description:
Labels:
CAS:28076-73-5
InChi Code:InChI=1S/C12H6Cl4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.82

experimental value

-6.91

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

Links to External Resources