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:	19
	Name:	acetic acid
	Description:
	Labels:	Training
	CAS:	64-19-7
	InChi Code:	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-2.29	experimental value
-1.76	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID5024394	US EPA CompTox Dashboard