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:	149
	Name:	2,6-Dimethyl-4-heptanone
	Description:
	Labels:	Validation
	CAS:	108-83-8
	InChi Code:	InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID4025080	US EPA CompTox Dashboard