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:323
Name:Trans-1,2-dimethylcyclohexane
Description:
Labels:
CAS:6876-23-9
InChi Code:InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.33

experimental value

-3.89

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