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:102
Name:Dichlorodiphenyltrichloroethane
Description:
Labels:
CAS:50-29-3
InChi Code:InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6.91

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.15

experimental value

-7.1

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

Links to External Resources