Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 217 | |
|---|---|---|
| Name: | 1,3-dibromo-5-(4-bromophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,4',5-triBDE | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H7Br3O/c13-8-1-3-11(4-2-8)16-12-6-9(14)5-10(15)7-12/h1-7H |
Properties
M11.pPL: Subcooled liquid vapour pressure as log(1/PL) [-log(Pa)] i
| Value | Source or prediction |
|---|---|
| 2.68 |
experimental value |
| 2.7094 |
Tab2.Model_11: BFR vapor pressure (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID70785695 | US EPA CompTox Dashboard |