10967/188 - QDB Compounds

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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:515
Name:Diallyl phthalate
Description:
Labels:
CAS:131-17-9
InChi Code:InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
3.23

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.13

experimental value

-2.61

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

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