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:768
Name:Styrene oxide
Description:
Labels:
CAS:96-09-3
InChi Code:InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.61

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.6

experimental value

-0.79

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

Links to External Resources