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:	27
	Name:	1-propanol
	Description:
	Labels:	Training
	CAS:	71-23-8
	InChi Code:	InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-2.94	experimental value
-1.97	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID2021739	US EPA CompTox Dashboard