10967/188 - QDB Compounds

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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:751
Name:Cyclohexyl acetate
Description:Name was changed from Cyclohexanol acetate to Cyclohexyl acetate
Labels:
CAS:622-45-7
InChi Code:InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.67

experimental value

-1.71

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

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