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:110
Name:2-Methyl-2-butene
Description:
Labels:alkenes
CAS:513-35-9
InChi Code:InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3

Properties

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

ValueSource or prediction
11.03

experimental value

11.69

Eq1: Full model (Training set)

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