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:	291
	Name:	Butyl chloride
	Description:
	Labels:	Testing
	CAS:	109-69-3
	InChi Code:	InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

Value	Source or prediction
-9.4	experimental value
-3.8	Tab7_Tf: RBF-NN model for diverse chemicals (Testing set)

Links to External Resources

Link	Resource description
DTXSID8020206	US EPA CompTox Dashboard