Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.

Compound

	ID:	101
	Name:	2-propenal
	Description:
	Labels:	Training
	CAS:	107-02-8
	InChi Code:	InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.39	experimental value
-1.17	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID5020023	US EPA CompTox Dashboard