- InChI
- InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3
- InChI Key
- FIAXCDIQXHJNIX-UHFFFAOYSA-N
- Formula
- C8H5Br5
- SMILES
- CCc1c(Br)c(Br)c(Br)c(Br)c1Br
- Molecular Weight1
- 500.65
- ω : Acentric Factor.
- 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).
- Pc : Critical 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5320 | Relay (1.0) Calculated Property | |
| ΔfusH° | 35.00 | kJ/mol | Joback Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.061 | Crippen Calculated Property | |
| McVol | 187.320 | ml/mol | McGowan Calculated Property |
| Pc | 5213.15 | kPa | Joback Calculated Property |
| Tboil | 646.95 | K | Relay (1.0) Calculated Property |
| Tc | 831.39 | K | Relay (1.0) Calculated Property |
| Tfus | 408.90 | K | Measurement of Vapor Pressures and Melting Properties of Five Polybrominated Aromatic Flame Retardants |
| Vc | 0.614 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.49; 349.53] | J/mol×K | [765.02; 1050.16] | 
|
| Cp,gas | 314.49 | J/mol×K | 765.02 | Joback Calculated Property |
| Cp,gas | 320.96 | J/mol×K | 812.54 | Joback Calculated Property |
| Cp,gas | 327.05 | J/mol×K | 860.07 | Joback Calculated Property |
| Cp,gas | 332.85 | J/mol×K | 907.59 | Joback Calculated Property |
| Cp,gas | 338.46 | J/mol×K | 955.11 | Joback Calculated Property |
| Cp,gas | 343.99 | J/mol×K | 1002.64 | Joback Calculated Property |
| Cp,gas | 349.53 | J/mol×K | 1050.16 | Joback Calculated Property |
| η | [0.0001731; 0.0004835] | Pa×s | [567.94; 765.02] |
|
| η | 0.0004835 | Pa×s | 567.94 | Joback Calculated Property |
| η | 0.0003888 | Pa×s | 600.79 | Joback Calculated Property |
| η | 0.0003198 | Pa×s | 633.63 | Joback Calculated Property |
| η | 0.0002681 | Pa×s | 666.48 | Joback Calculated Property |
| η | 0.0002286 | Pa×s | 699.33 | Joback Calculated Property |
| η | 0.0001977 | Pa×s | 732.17 | Joback Calculated Property |
| η | 0.0001731 | Pa×s | 765.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to pentabromoethylbenzene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Measurement of Vapor Pressures and Melting Properties of Five Polybrominated Aromatic Flame Retardants
- Joback Method
- McGowan Method
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