- 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
- Other Names
-
- 2,3,4,5,6-Pentabromoethylbenzene
- 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; 411.15] | K |
|
| Tfus | 408.90 | K | Measurement of Vapor Pressures and Melting Properties of Five Polybrominated Aromatic Flame Retardants |
| Tfus | 411.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.62; 343.68] | 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 | 7.41610e+01 | |||
| Coefficient B | 5.78420e-01 | |||
| Coefficient C | -4.64400e-04 | |||
| Coefficient D | 1.55500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 200.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 227.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 250.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 270.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 286.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 301.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 313.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 324.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 334.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 343.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022458; 0.0001952] | Pa×s | [410.02; 735.11] |
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 | -1.16221e+01 | |||
| Coefficient B | 2.26474e+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. | 410.02 | |||
| Temperature range, max. | 735.11 | |||
| η | 0.0022458 | Pa×s | 410.02 | Calculated Property |
| η | 0.0014360 | Pa×s | 446.15 | Calculated Property |
| η | 0.0009819 | Pa×s | 482.27 | Calculated Property |
| η | 0.0007078 | Pa×s | 518.39 | Calculated Property |
| η | 0.0005325 | Pa×s | 554.51 | Calculated Property |
| η | 0.0004148 | Pa×s | 590.63 | Calculated Property |
| η | 0.0003326 | Pa×s | 626.75 | Calculated Property |
| η | 0.0002731 | Pa×s | 662.87 | Calculated Property |
| η | 0.0002289 | Pa×s | 698.99 | Calculated Property |
| η | 0.0001952 | Pa×s | 735.11 | Calculated Property |
Similar Compounds
Find more compounds similar to pentabromoethylbenzene.
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)
- 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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