CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Composition of commercial Tetrabromodiphenyl ether: 7.6% polybrominated diphenyl ethers, 41-41.7% tetrabromodiphenyl ether, 44.4-45% pentabromodiphenyl ether and 6-7% hexabromodiphenyl ether." [HSDB] |
|---|---|
| Vapor Pressure | 2.20X10-6 mm Hg at 25 °C |
| LogP | log Kow = 6.05 |
| Decomposition | When heated to decomposition it emits toxic vapors of /bromine/. |
| Other Experimental Properties | log Kow = 5.87-6.16 |
| Chemical Classes | Other Classes -> Halogenated Polyaromatics |
COMPUTED DESCRIPTORS
| Molecular Weight | 485.79 g/mol |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 485.71112 g/mol |
| Monoisotopic Mass | 481.71522 g/mol |
| Topological Polar Surface Area | 9.2 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 251 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |