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:138
Name:Decane
Description:
Labels:
CAS:124-18-5
InChi Code:InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.44

experimental value

-5.48

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

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