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: | t442 | |
|---|---|---|
| Name: | 2-ethylhexyl diphenyl phosphate | |
| Description: | ||
| Labels: | Training | |
| CAS: | 1241-94-7 | |
| InChi Code: | InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.49 |
experimental value |
| 1.3297 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.3297 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1025300 | US EPA CompTox Dashboard |