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:373
Name:Dimethylterephthalate
Description:
Labels:
CAS:120-61-6
InChi Code:InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.25

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.01

experimental value

-2.74

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

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