10967/188 - QDB Compounds

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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:190
Name:2,4'-Dichlorodiphenyl ether
Description:
Labels:
CAS:6903-65-7
InChi Code:InChI=1S/C12H8Cl2O/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.52

experimental value

-5.25

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

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