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: | 208 | |
|---|---|---|
| Name: | 1,2,3-tribromo-4-(2,3,4-tribromophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2',3,3',4,4'-hexaBDE | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Br6O/c13-5-1-3-7(11(17)9(5)15)19-8-4-2-6(14)10(16)12(8)18/h1-4H |
Properties
M10.MP: Melting Point [°C]
| Value | Source or prediction |
|---|---|
| 182.55 |
experimental value |
| 178.9129 |
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 |
|---|---|
| 5.17 |
experimental value |
| 5.261 |
Tab2.Model_11: BFR vapor pressure (Training set) |