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:	42
	Name:	Cumene
	Description:
	Labels:	Testing
	CAS:	98-82-8
	InChi Code:	InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID1021827	US EPA CompTox Dashboard