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:	308
	Name:	Benzyl chloride
	Description:
	Labels:	Validation
	CAS:	100-44-7
	InChi Code:	InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

Properties

Tb: Boiling point [°C]

Value	Source or prediction
179.3	experimental value
159.3	Tab7_Tb: RBF-NN model for diverse chemicals (Validation set)

Tf: Flash point [°C]

Value	Source or prediction
67	experimental value
53.6	Tab7_Tf: RBF-NN model for diverse chemicals (Validation set)

Links to External Resources

Link	Resource description
DTXSID0020153	US EPA CompTox Dashboard