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:	52
	Name:	dibutyl benzene-1,2-dicarboxylate
	Description:	Original non-IUPAC name was: 1,2-benzenedicarboxylic acid, dibutyl ester
	Labels:	Training
	CAS:	84-74-2
	InChi Code:	InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
0.96	experimental value
-0.09	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID2021781	US EPA CompTox Dashboard