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:755
Name:Benzene
Description:
Labels:
CAS:71-43-2
InChi Code:InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.13

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.64

experimental value

-1.64

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

Links to External Resources