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:20
Name:Dimethyl sulfide
Description:
Labels:sulphur_compounds
CAS:75-18-3
InChi Code:InChI=1S/C2H6S/c1-3-2/h1-2H3

Properties

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

ValueSource or prediction
12

experimental value

10.22

Eq1: Full model (Training set)

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