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:	t84
	Name:	2,4-di-tert-butylphenol
	Description:
	Labels:	Training
	CAS:	96-76-4
	InChi Code:	InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.39	experimental value
1.8987	Tab2: Multilinear model for diverse chemicals (Training set)
1.8987	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID2026602	US EPA CompTox Dashboard