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:	62
	Name:	Propyl acetate
	Description:
	Labels:	esters
	CAS:	109-60-4
	InChi Code:	InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3

Properties

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

Value	Source or prediction
16.3	experimental value
16.09	Eq1: Full model (Training set)

Links to External Resources

Link	Resource description
DTXSID6021901	US EPA CompTox Dashboard