Tetteh, J.; Suzuki, T.; Metcalfe, E.; Howells, S. Quantitative Structure-Property Relationships for the Estimation of Boiling Point and Flash Point Using a Radial Basis Function Neural Network. J. Chem. Inf. Model. 1999, 39, 491-507.

Compound

	ID:	328
	Name:	Propyl nitrate
	Description:
	Labels:	Training
	CAS:	627-13-4
	InChi Code:	InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3

Properties

Tb: Boiling point [°C]

Value	Source or prediction
110.6	experimental value
135.4	Tab7_Tb: RBF-NN model for diverse chemicals (Training set)

Tf: Flash point [°C]

Value	Source or prediction
20	experimental value
37.5	Tab7_Tf: RBF-NN model for diverse chemicals (Training set)

Links to External Resources

Link	Resource description
DTXSID2060834	US EPA CompTox Dashboard