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:174
Name:2-Chlorodibenzo-p-dioxin
Description:
Labels:
CAS:39227-54-8
InChi Code:InChI=1S/C12H7ClO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.45

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.82

experimental value

-5.29

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

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