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:	61
	Name:	Methylbenzene
	Description:
	Labels:	aromatics
	CAS:	108-88-3
	InChi Code:	InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

Properties

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

Value	Source or prediction
16.18	experimental value
15.46	Eq1: Full model (Training set)

Links to External Resources

Link	Resource description
DTXSID7021360	US EPA CompTox Dashboard