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:259
Name:2-Chlorodiphenyl ether
Description:
Labels:
CAS:2689-07-8
InChi Code:InChI=1S/C12H9ClO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.78

experimental value

-4.79

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

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