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: | p68 | |
|---|---|---|
| Name: | 2-ethylhexylvinylether | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 103-44-6 | |
| InChi Code: | InChI=1S/C10H20O/c1-4-7-8-10(5-2)9-11-6-3/h6,10H,3-5,7-9H2,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.77 |
experimental value |
| 2.4843 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 2.4843 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |