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:	p267
	Name:	1,3,5-tri-tert-butylbenzene
	Description:
	Labels:	Validation, 1
	CAS:	1460-02-2
	InChi Code:	InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
4.37	experimental value
3.0360	Tab2: Multilinear model for diverse chemicals (External validation set 1)
3.0360	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID50163255	US EPA CompTox Dashboard