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:	p80
	Name:	p-tert-butylphenol
	Description:
	Labels:	Validation, 1
	CAS:	98-54-4
	InChi Code:	InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.83	experimental value
1.3050	Tab2: Multilinear model for diverse chemicals (External validation set 1)
1.3050	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID1020221	US EPA CompTox Dashboard