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: | t272 | |
|---|---|---|
| Name: | diheptyl benzene-1,2-dicarboxylate | |
| Description: | ||
| Labels: | Training | |
| CAS: | 3648-21-3 | |
| InChi Code: | InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.06 |
experimental value |
| 1.5552 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.5552 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8040779 | US EPA CompTox Dashboard |