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:	e79
	Name:	dibutyl phthalate
	Description:
	Labels:	Validation, 2
	CAS:	84-74-2
	InChi Code:	InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.23	experimental value
1.4756	Tab2: Multilinear model for diverse chemicals (External validation set 2)
1.4756	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID2021781	US EPA CompTox Dashboard