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:	p425
	Name:	p-acetaldehyde
	Description:
	Labels:	Validation, 1
	CAS:	123-63-7
	InChi Code:	InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
-0.52	experimental value
0.5991	Tab2: Multilinear model for diverse chemicals (External validation set 1)
0.5991	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID9023419	US EPA CompTox Dashboard