10967/172 - QDB Compounds

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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:99
Name:trans-1,2-Dichloroethene
Description:
Labels:alkenes
CAS:156-60-5
InChi Code:InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+

Properties

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

ValueSource or prediction
15.97

experimental value

14.67

Eq1: Full model (Training set)

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