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:	p59
	Name:	2,4,4-trimethylpent-1-ene
	Description:
	Labels:	Validation, 1
	CAS:	107-39-1
	InChi Code:	InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.79	experimental value
1.9144	Tab2: Multilinear model for diverse chemicals (External validation set 1)
1.9144	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID4026765	US EPA CompTox Dashboard