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:	p83
	Name:	2,6-di-sec-butylphenol
	Description:
	Labels:	Validation, 1
	CAS:	5510-99-6
	InChi Code:	InChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.55	experimental value
1.7407	Tab2: Multilinear model for diverse chemicals (External validation set 1)
1.7407	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID0044440	US EPA CompTox Dashboard