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:22
Name:1,1-Dichloroethene
Description:
Labels:alkenes
CAS:75-35-4
InChi Code:InChI=1S/C2H2Cl2/c1-2(3)4/h1H2

Properties

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

ValueSource or prediction
14.91

experimental value

15.16

Eq1: Full model (Training set)

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