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: | 207 | |
|---|---|---|
| Name: | 1,2,3,4,5-pentabromo-6-phenoxybenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,4,5,6-pentaBDE | |
| Labels: | ||
| CAS: | 189084-65-9 | |
| InChi Code: | InChI=1S/C12H5Br5O/c13-7-8(14)10(16)12(11(17)9(7)15)18-6-4-2-1-3-5-6/h1-5H |
Properties
M10.MP: Melting Point [°C]
| Value | Source or prediction |
|---|---|
| 199.75 |
experimental value |
| 162.292 |
Tab2.Model_10: BFR melting point (Training set) |
M11.pPL: Subcooled liquid vapour pressure as log(1/PL) [-log(Pa)] i
| Value | Source or prediction |
|---|---|
| 4.29 |
experimental value |
| 4.5849 |
Tab2.Model_11: BFR vapor pressure (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID80548894 | US EPA CompTox Dashboard |