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:	p77
	Name:	p-diethylbenzene
	Description:
	Labels:	Validation, 1
	CAS:	105-05-5
	InChi Code:	InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.68	experimental value
2.3435	Tab2: Multilinear model for diverse chemicals (External validation set 1)
2.3435	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID4026711	US EPA CompTox Dashboard