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:	35
	Name:	Toluene
	Description:
	Labels:	Validation
	CAS:	108-88-3
	InChi Code:	InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID7021360	US EPA CompTox Dashboard