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:	352
	Name:	2,4-Pentanedione
	Description:
	Labels:	Training
	CAS:	123-54-6
	InChi Code:	InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3

Properties

Tb: Boiling point [°C]

Value	Source or prediction
140.5	experimental value
154.2	Tab7_Tb: RBF-NN model for diverse chemicals (Training set)

Tf: Flash point [°C]

Value	Source or prediction
34	experimental value
48.2	Tab7_Tf: RBF-NN model for diverse chemicals (Training set)

Links to External Resources

Link	Resource description
DTXSID4021979	US EPA CompTox Dashboard