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:571
Name:2-Nonanol
Description:
Labels:
CAS:628-99-9
InChi Code:InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.74

experimental value

-2.75

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