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:530
Name:1,3-Dichlorobenzene
Description:
Labels:
CAS:541-73-1
InChi Code:InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
3.53

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.04

experimental value

-3.07

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

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