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:819
Name:Cyclooctanol
Description:
Labels:
CAS:696-71-9
InChi Code:InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.29

experimental value

-1.88

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

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