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:	84
	Name:	(1-methylethyl)benzene
	Description:
	Labels:	Training
	CAS:	98-82-8
	InChi Code:	InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
0.29	experimental value
-0.17	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID1021827	US EPA CompTox Dashboard