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:	p265
	Name:	2,2,4,4,6,8,8-heptamethylnonane
	Description:
	Labels:	Validation, 1
	CAS:	4390-04-9
	InChi Code:	InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.98	experimental value
3.5692	Tab2: Multilinear model for diverse chemicals (External validation set 1)
3.5692	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID7052101	US EPA CompTox Dashboard