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:	e438
	Name:	2-isopropylnaphthalene
	Description:
	Labels:	Validation, 2
	CAS:	2027-17-0
	InChi Code:	InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
4.11	experimental value
2.6837	Tab2: Multilinear model for diverse chemicals (External validation set 2)
2.6837	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID7051844	US EPA CompTox Dashboard