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:	243
	Name:	2,8-dichlorodibenzo-p-dioxin
	Description:
	Labels:	Training
	CAS:	38964-22-6
	InChi Code:	InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
2.16	experimental value
2.28	Eq1: Full Model (Training set)