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:394
Name:sec-Butylbenzene
Description:Name was changed from 2-Butylbenzene to sec-Butylbenzene
Labels:
CAS:135-98-8
InChi Code:InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.89

experimental value

-3.6

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

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