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:108
Name:1-Hexadecanol
Description:
Labels:
CAS:124-29-8
InChi Code:InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7

experimental value

-6.98

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

Links to External Resources