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:	p61
	Name:	2,5-dimethylhexa-2,4-diene
	Description:
	Labels:	Validation, 1
	CAS:	764-13-6
	InChi Code:	InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.31	experimental value
1.2863	Tab2: Multilinear model for diverse chemicals (External validation set 1)
1.2863	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID3022116	US EPA CompTox Dashboard