Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.

Compound

	ID:	136
	Name:	dimethyl benzene-1,2-dicarboxylate
	Description:	Original non-IUPAC name was: 1,2-benzenedicarboxylic acid, dimethyl ester
	Labels:	Validation
	CAS:	131-11-3
	InChi Code:	InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
0.14	experimental value
0.047	Eq1: Full model (Training set)
-0.04	Eq2: Split model (Validation set)

Links to External Resources

Link	Resource description
DTXSID3022455	US EPA CompTox Dashboard