10967/115 - QDB Compounds

QsarDB Repository

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:t372
Name:tris(2-ethylhexyl) phosphate
Description:
Labels:Training
CAS:78-42-2
InChi Code:InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.19

experimental value

1.1442

Tab2: Multilinear model for diverse chemicals (Training set)

1.1442

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

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