- InChI
- InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H
- InChI Key
- RZXIRSKYBISPGF-UHFFFAOYSA-N
- Formula
- C12H4Br6O
- SMILES
-
Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2B
r)cc1Br - Molecular Weight1
- 643.58
- CAS
- 68631-49-2
- Other Names
-
- BDE-153
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Psub : Sublimation pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6885 | Relay (1.0) Calculated Property | |
| ΔfG° | 198.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 141.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.054 | Crippen Calculated Property | |
| McVol | 243.290 | ml/mol | McGowan Calculated Property |
| Pc | 5094.76 | kPa | Joback Calculated Property |
| Tboil | 680.38 | K | Relay (1.0) Calculated Property |
| Tc | 960.19 | K | Relay (1.0) Calculated Property |
| Tfus | 451.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.95; 492.95] | J/mol×K | [976.58; 1285.26] | 
|
| Cp,gas | 452.95 | J/mol×K | 976.58 | Joback Calculated Property |
| Cp,gas | 459.68 | J/mol×K | 1028.03 | Joback Calculated Property |
| Cp,gas | 466.18 | J/mol×K | 1079.47 | Joback Calculated Property |
| Cp,gas | 472.61 | J/mol×K | 1130.92 | Joback Calculated Property |
| Cp,gas | 479.11 | J/mol×K | 1182.37 | Joback Calculated Property |
| Cp,gas | 485.84 | J/mol×K | 1233.82 | Joback Calculated Property |
| Cp,gas | 492.95 | J/mol×K | 1285.26 | Joback Calculated Property |
| η | [0.0000578; 0.0001613] | Pa×s | [733.99; 976.58] |
|
| η | 0.0001613 | Pa×s | 733.99 | Joback Calculated Property |
| η | 0.0001300 | Pa×s | 774.42 | Joback Calculated Property |
| η | 0.0001071 | Pa×s | 814.85 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 855.29 | Joback Calculated Property |
| η | 0.0000765 | Pa×s | 895.72 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 936.15 | Joback Calculated Property |
| η | 0.0000578 | Pa×s | 976.58 | Joback Calculated Property |
| ΔvapH | 107.60 | kJ/mol | 418.00 | NIST |
| Psub | [2.25e-08; 1.50e-05] | kPa | [343.44; 392.81] |
|
| Psub | 2.25e-08 | kPa | 343.44 | Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures |
| Psub | 1.29e-07 | kPa | 353.11 | Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures |
| Psub | 4.26e-07 | kPa | 363.19 | Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures |
| Psub | 1.37e-06 | kPa | 373.17 | Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures |
| Psub | 4.43e-06 | kPa | 383.16 | Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures |
| Psub | 1.50e-05 | kPa | 392.81 | Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures |
Similar Compounds
Find more compounds similar to 2,2',4,4',5,5'-Hexabromodiphenyl ether.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
- Joback Method
- McGowan Method
- NIST Webbook
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