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:569
Name:p-Xylene
Description:
Labels:
CAS:106-42-3
InChi Code:InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
3.15

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.77

experimental value

-2.64

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

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