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: | 215 | |
|---|---|---|
| Name: | 1,4-dibromo-2-(2-bromophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2',5-triBDE | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H7Br3O/c13-8-5-6-10(15)12(7-8)16-11-4-2-1-3-9(11)14/h1-7H |
Properties
M11.pPL: Subcooled liquid vapour pressure as log(1/PL) [-log(Pa)] i
| Value | Source or prediction |
|---|---|
| 2.68 |
experimental value |
| 2.3835 |
Tab2.Model_11: BFR vapor pressure (Training set) |