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:	p6
	Name:	2,2,4,6,6-pentamethylheptane
	Description:
	Labels:	Validation, 1
	CAS:	13475-82-6
	InChi Code:	InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
3.56	experimental value
3.3721	Tab2: Multilinear model for diverse chemicals (External validation set 1)
3.3721	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID0042034	US EPA CompTox Dashboard