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:	e83
	Name:	butyl benzyl phthalate
	Description:
	Labels:	Validation, 2
	CAS:	85-68-7
	InChi Code:	InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.09	experimental value
1.8488	Tab2: Multilinear model for diverse chemicals (External validation set 2)
1.8488	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID3020205	US EPA CompTox Dashboard