- InChI
- InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
- InChI Key
- WHHGLZMJPXIBIX-UHFFFAOYSA-N
- Formula
- C12Br10O
- SMILES
-
Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c
(Br)c(Br)c2Br)c(Br)c1Br - Molecular Weight1
- 959.17
- CAS
- 1163-19-5
- Other Names
-
- 1,1'-Oxybis (2,3,4,5,6-pentabromobenzene)
- 6,6'-oxybis(1,2,3,4,5-pentabromobenzene)
- BR 55N
- Benzene, 1,1'-oxybis*2,3,4,5,6-pentabromo-
- Benzene, 1,1'-oxybis[2,3,4,5,6-pentabromo-
- Benzene, 1,1'-oxybis[pentabromo-
- Berkflam B 10E
- Bromkal 81
- Bromkal 82-0DE
- Bromkal 82-ode
- Bromkal 83-10DE
- DBDPE
- DE 83R
- DECA
- DPBPO
- Dbdpo
- Decabrom
- Decabromdiphenyl oxide
- Decabromobiphenyl ether
- Decabromobiphenyl oxide
- Decabromophenyl ether
- Ether, bis(pentabromophenyl)
- Ether, decabromodiphenyl
- F/R-P 53
- FR 300
- FR 300BA
- FR-1210
- FRP 53
- Great lakes DE-83R
- NCI-C55287
- Octaguard FR-01
- Octoguard FR-01
- Pentabromodiphenyl ether
- Pentabromodiphenyl ether1,1'-oxybis(2,3,4,5,6-pentabromobenzene)
- Planelon DB 100
- Saytex 102
- Saytex 102E
- Tardex 100
- Themoguard 505
- Thermoguard 505
- bis(pentabromophenyl) ether
- decabromodiphenyl ether
- decabromodiphenyl oxide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 65.07 | kJ/mol | Joback Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 11.104 | Crippen Calculated Property | |
| McVol | 313.290 | ml/mol | McGowan Calculated Property |
| Tfus | 578.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.31; 480.17] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.74570e+02 | |||
| Coefficient B | 7.09800e-01 | |||
| Coefficient C | -6.24000e-04 | |||
| Coefficient D | 2.19800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 326.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 357.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 383.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 404.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 422.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 437.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 449.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 460.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 470.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 480.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006711; 0.0000247] | Pa×s | [578.65; 1116.44] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.41579e+01 | |||
| Coefficient B | 3.96449e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 578.65 | |||
| Temperature range, max. | 1116.44 | |||
| η | 0.0006711 | Pa×s | 578.65 | Calculated Property |
| η | 0.0003534 | Pa×s | 638.40 | Calculated Property |
| η | 0.0002077 | Pa×s | 698.16 | Calculated Property |
| η | 0.0001327 | Pa×s | 757.91 | Calculated Property |
| η | 0.0000906 | Pa×s | 817.67 | Calculated Property |
| η | 0.0000651 | Pa×s | 877.42 | Calculated Property |
| η | 0.0000488 | Pa×s | 937.18 | Calculated Property |
| η | 0.0000379 | Pa×s | 996.93 | Calculated Property |
| η | 0.0000302 | Pa×s | 1056.68 | Calculated Property |
| η | 0.0000247 | Pa×s | 1116.44 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentabromophenyl ether.
Mixtures
- Pentabromophenyl ether + Acetone
- Pentabromophenyl ether + Ethyl Acetate
- Pentabromophenyl ether + Toluene
- Pentabromophenyl ether + Tetrahydrofuran
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solubility of Decabromodiphenyl Ether in Different Solvents at (283.0 to 323.0) K
- Joback Method
- McGowan Method
- NIST Webbook
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