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:490
Name:4-Methyl-1-pentene
Description:
Labels:
CAS:691-37-2
InChi Code:InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.24

experimental value

-2.75

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

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