- InChI
- InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9
- InChI Key
- CAYGQBVSOZLICD-UHFFFAOYSA-N
- Formula
- C6Br6
- SMILES
- Brc1c(Br)c(Br)c(Br)c(Br)c1Br
- Molecular Weight1
- 551.49
- CAS
- 87-82-1
- Other Names
-
- Benzene hexabromide
- hexabromobenzene
- perbromobenzene
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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 |
|---|---|---|---|
| ΔfG° | 149.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 169.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.15 | kJ/mol | Joback Calculated Property |
| IE | 8.80 | eV | NIST |
| log10WS | -8.45 | Crippen Calculated Property | |
| logPoct/wat | 6.262 | Crippen Calculated Property | |
| McVol | 176.640 | ml/mol | McGowan Calculated Property |
| Pc | 7915.30 | kPa | Joback Calculated Property |
| Tboil | 785.22 | K | Joback Calculated Property |
| Tc | 1096.09 | K | Joback Calculated Property |
| Tfus | 605.20 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.14; 257.09] | J/mol×K | [785.22; 1096.09] | 
|
| Cp,gas | 236.14 | J/mol×K | 785.22 | Joback Calculated Property |
| Cp,gas | 239.31 | J/mol×K | 837.03 | Joback Calculated Property |
| Cp,gas | 242.43 | J/mol×K | 888.84 | Joback Calculated Property |
| Cp,gas | 245.63 | J/mol×K | 940.66 | Joback Calculated Property |
| Cp,gas | 249.05 | J/mol×K | 992.47 | Joback Calculated Property |
| Cp,gas | 252.82 | J/mol×K | 1044.28 | Joback Calculated Property |
| Cp,gas | 257.09 | J/mol×K | 1096.09 | Joback Calculated Property |
| η | [0.0001772; 0.0004334] | Pa×s | [605.20; 785.22] |
|
| η | 0.0004334 | Pa×s | 605.20 | Joback Calculated Property |
| η | 0.0003605 | Pa×s | 635.20 | Joback Calculated Property |
| η | 0.0003048 | Pa×s | 665.21 | Joback Calculated Property |
| η | 0.0002615 | Pa×s | 695.21 | Joback Calculated Property |
| η | 0.0002272 | Pa×s | 725.21 | Joback Calculated Property |
| η | 0.0001997 | Pa×s | 755.22 | Joback Calculated Property |
| η | 0.0001772 | Pa×s | 785.22 | Joback Calculated Property |
| ΔfusH | 24.60 | kJ/mol | 598.80 | NIST |
| Psub | [2.33e-06; 2.55e-04] | kPa | [363.28; 412.93] |
|
| Psub | 2.33e-06 | kPa | 363.28 | Measure... |
| Psub | 7.39e-06 | kPa | 373.39 | Measure... |
| Psub | 1.78e-05 | kPa | 383.22 | Measure... |
| Psub | 4.48e-05 | kPa | 392.95 | Measure... |
| Psub | 1.16e-04 | kPa | 402.92 | Measure... |
| Psub | 2.55e-04 | kPa | 412.93 | Measure... |
Similar Compounds
Find more compounds similar to Benzene, hexabromo-.
Sources
- 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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