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:299
Name:2-Methylheptane
Description:
Labels:
CAS:592-27-8
InChi Code:InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.48

experimental value

-4.3

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

Links to External Resources