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:916
Name:Glyceryl triacetate
Description:
Labels:
CAS:102-76-1
InChi Code:InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
0.25

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-0.6

experimental value

-0.17

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

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