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:832
Name:Benzaldehyde
Description:
Labels:
CAS:100-52-7
InChi Code:InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.47

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.19

experimental value

-1

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

Links to External Resources