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:	61
	Name:	1,2-benzenedicarboxylic acid
	Description:
	Labels:	Training
	CAS:	88-99-3
	InChi Code:	InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.47	experimental value
-0.75	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID8021484	US EPA CompTox Dashboard