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:385
Name:Acenaphthylene
Description:Name was changed from Acenaphthalene to Acenaphthylene
Labels:
CAS:208-96-8
InChi Code:InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.96

experimental value

-3.77

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

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