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:400
Name:Trans-2-heptene
Description:
Labels:
CAS:14686-13-6
InChi Code:InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.82

experimental value

-3.41

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