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:105
Name:2,2',3,3',4-Pentachlorobiphenyl
Description:
Labels:
CAS:52663-62-4
InChi Code:InChI=1S/C12H5Cl5/c13-8-3-1-2-6(10(8)15)7-4-5-9(14)12(17)11(7)16/h1-5H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.05

experimental value

-7.17

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

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