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:346
Name:1-Ethylnaphthalene
Description:
Labels:
CAS:1127-76-0
InChi Code:InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
4.39

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.16

experimental value

-3.84

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