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:957
Name:4-Penten-1-ol
Description:In original publication melting point for this compound was denoted as <25C.
Labels:
CAS:821-09-0
InChi Code:InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-0.15

experimental value

-0.37

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

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