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: | e592 | |
|---|---|---|
| Name: | 1,2-diisopropyl naphthalene | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 38640-62-9 | |
| InChi Code: | InChI=1S/C16H20/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4/h5-12H,1-4H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.58 |
experimental value |
| 3.1415 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 3.1415 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |