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:	249
	Name:	1-Nitropropane
	Description:
	Labels:	Testing
	CAS:	108-03-2
	InChi Code:	InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3

Properties

Tb: Boiling point [°C]

Value	Source or prediction
131.4	experimental value
108.7	Tab7_Tb: RBF-NN model for diverse chemicals (Testing set)

Tf: Flash point [°C]

Value	Source or prediction
35.6	experimental value
15.7	Tab7_Tf: RBF-NN model for diverse chemicals (Testing set)

Links to External Resources

Link	Resource description
DTXSID1020980	US EPA CompTox Dashboard