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:610
Name:Cis-2-pentene
Description:
Labels:
CAS:627-20-3
InChi Code:InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.54

experimental value

-2.36

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