- InChI
- InChI=1S/C6Br2F4/c7-1-3(9)5(11)2(8)6(12)4(1)10
- InChI Key
- QFTZULJNRAHOIY-UHFFFAOYSA-N
- Formula
- C6Br2F4
- SMILES
- Fc1c(F)c(Br)c(F)c(F)c1Br
- Molecular Weight1
- 307.87
- CAS
- 344-03-6
- Other Names
-
- Benzene, 1,4-dibromotetrafluoro-
- p-Dibromotetrafluorobenzene
- 1,4-Dibromo-2,3,5,6-tetrafluorobenzene
- 1,4-Dibromotetrafluorobenzene
- Tetrafluoro-1,4-dibromo benzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4246 | Relay (1.0) Calculated Property | |
| ΔfG° | -686.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 ± 0.02 | eV | NIST |
| logPoct/wat | 3.768 | Crippen Calculated Property | |
| McVol | 113.720 | ml/mol | McGowan Calculated Property |
| Pc | 4005.77 | kPa | Joback Calculated Property |
| Tboil | 476.66 | K | Relay (1.0) Calculated Property |
| Tc | 657.24 | K | Relay (1.0) Calculated Property |
| Tfus | 329.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.03; 241.57] | 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 | 7.57700e+01 | |||
| Coefficient B | 3.21000e-01 | |||
| Coefficient C | -2.07000e-04 | |||
| Coefficient D | 5.18000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 165.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 180.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 193.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 204.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 214.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 222.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 229.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 236.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 241.57 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,4-dibromo-2,3,5,6-tetrafluoro-.
Sources
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