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:796
Name:Phthalic anhydride
Description:
Labels:
CAS:85-44-9
InChi Code:InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.6

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.39

experimental value

-2.16

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

Links to External Resources