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:	311
	Name:	3-Iodotoluene
	Description:
	Labels:	Validation
	CAS:	625-95-6
	InChi Code:	InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID5060809	US EPA CompTox Dashboard