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:	12
	Name:	2,4-Dimethylpentane
	Description:
	Labels:	Testing
	CAS:	108-08-7
	InChi Code:	InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

Value	Source or prediction
-12.2	experimental value
-7.2	Tab7_Tf: RBF-NN model for diverse chemicals (Testing set)

Links to External Resources

Link	Resource description
DTXSID2059358	US EPA CompTox Dashboard