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: | e83 | |
|---|---|---|
| Name: | butyl benzyl phthalate | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 85-68-7 | |
| InChi Code: | InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.09 |
experimental value |
| 1.8488 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 1.8488 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020205 | US EPA CompTox Dashboard |