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:55
Name:3-Chloro-1-propene
Description:
Labels:alkenes
CAS:107-05-1
InChi Code:InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2

Properties

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

ValueSource or prediction
15.27

experimental value

14.38

Eq1: Full model (Training set)

Links to External Resources