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:	t114
	Name:	cyclododecane
	Description:
	Labels:	Training
	CAS:	294-62-2
	InChi Code:	InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
3.99	experimental value
3.6996	Tab2: Multilinear model for diverse chemicals (Training set)
3.6996	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID9021552	US EPA CompTox Dashboard