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:	175
	Name:	Isopropyl acetate
	Description:
	Labels:	Training
	CAS:	108-21-4
	InChi Code:	InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID2025478	US EPA CompTox Dashboard