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:	325
	Name:	2-Chloropropionic acid
	Description:
	Labels:	Training
	CAS:	598-78-7
	InChi Code:	InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)

Properties

Tb: Boiling point [°C]

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

Tf: Flash point [°C]

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

Links to External Resources

Link	Resource description
DTXSID0021545	US EPA CompTox Dashboard