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:257
Name:2,3,4-Trimethylpentane
Description:
Labels:
CAS:565-75-3
InChi Code:InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.8

experimental value

-4.04

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

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