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:	t74
	Name:	1,2,4-trimethylbenzene
	Description:
	Labels:	Training
	CAS:	95-63-6
	InChi Code:	InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.08	experimental value
2.0652	Tab2: Multilinear model for diverse chemicals (Training set)
2.0652	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID6021402	US EPA CompTox Dashboard