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:989
Name:Triethyl phosphate
Description:
Labels:
CAS:78-40-0
InChi Code:InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
0.8

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
0.43

experimental value

0.22

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

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