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:	p85
	Name:	2,6-di-tert-butyl-p-cresol
	Description:
	Labels:	Validation, 1
	CAS:	128-37-0
	InChi Code:	InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
3.03	experimental value
2.0927	Tab2: Multilinear model for diverse chemicals (External validation set 1)
2.0927	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID2020216	US EPA CompTox Dashboard