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:888
Name:4-Methyl-2-pentanol
Description:
Labels:
CAS:108-11-2
InChi Code:InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-0.8

experimental value

-1.03

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

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