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: | 218 | |
|---|---|---|
| Name: | 1,2,3,5-tetrabromo-4-(4-bromophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,4,4',6-pentaBDE | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H5Br5O/c13-6-1-3-7(4-2-6)18-12-9(15)5-8(14)10(16)11(12)17/h1-5H |
Properties
M11.pPL: Subcooled liquid vapour pressure as log(1/PL) [-log(Pa)] i
| Value | Source or prediction |
|---|---|
| 4.52 |
experimental value |
| 4.3462 |
Tab2.Model_11: BFR vapor pressure (Training set) |