Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

Compound

	ID:	p228
	Name:	1-chlorobutane
	Description:
	Labels:	Validation, 1
	CAS:	109-69-3
	InChi Code:	InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.15	experimental value
1.8079	Tab2: Multilinear model for diverse chemicals (External validation set 1)
1.8079	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID8020206	US EPA CompTox Dashboard