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:110
Name:3,3',4,4'-Tetrachlorodiphenyl ether
Description:
Labels:
CAS:56348-72-2
InChi Code:InChI=1S/C12H6Cl4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.98

experimental value

-6.8

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

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