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:138
Name:Methylenecyclobutane
Description:
Labels:alkenes
CAS:1120-56-5
InChi Code:InChI=1S/C5H8/c1-5-3-2-4-5/h1-4H2

Properties

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

ValueSource or prediction
12.38

experimental value

12.74

Eq1: Full model (Training set)