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:59
Name:Tetradecane
Description:
Labels:
CAS:629-59-4
InChi Code:InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
8

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.96

experimental value

-7.6

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

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