10967/172 - QDB Compounds

QsarDB Repository

Papa, E.; Gramatica, P. Externally validated QSPR modelling of VOC tropospheric oxidation by NO3 radicals. SAR QSAR Environ. Res. 2008, 19, 655–668.

Compound

ID:140
Name:Methylenecyclohexane
Description:
Labels:alkenes
CAS:1192-37-6
InChi Code:InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2

Properties

pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i

ValueSource or prediction
12.27

experimental value

12.46

Eq1: Full model (Training set)

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