10967/189 - QDB Compounds

QsarDB Repository

Wang, Y.-n.; Chen, J.; Li, X.; Zhang, S.; Qiao, X. Estimation of Aqueous-Phase Reaction Rate Constants of Hydroxyl Radical with Phenols, Alkanes and Alcohols. QSAR Comb. Sci. 2009, 28, 1309–1316.

Compound

ID:36
Name:1-Propanol
Description:
Labels:
CAS:71-23-8
InChi Code:InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

Properties

logkOH: aqueous-phase hydroxyl radical reaction rate constant as logkOH [L/mol.s]

ValueSource or prediction
9.45

experimental value

9.42

Eq.6: Model for phenols, alkenes and alcohols (Training set)

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