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:272
Name:Dodecanol
Description:
Labels:
CAS:112-53-8
InChi Code:InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.13

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.67

experimental value

-4.56

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

Links to External Resources