- InChI
- InChI=1S/C2BrF4I/c3-1(4,5)2(6,7)8
- InChI Key
- ZYNPYKGTNSXKPI-UHFFFAOYSA-N
- Formula
- C2BrF4I
- SMILES
- FC(F)(Br)C(F)(F)I
- Molecular Weight1
- 306.82
- CAS
- 421-70-5
- Other Names
-
- 1-Bromo-2-iodotetrafluoroethane
- 1-bromotetrafluoro-2-iodoethane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.2705 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -717.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.002 | Crippen Calculated Property | |
| McVol | 89.440 | ml/mol | McGowan Calculated Property |
| Pc | 4414.96 | kPa | Joback Calculated Property |
| Tboil | 351.00 | K | NIST |
| Tc | 531.98 | K | Relay (1.0) Calculated Property |
| Tfus | 160.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.349 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [108.85; 171.97] | 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 | -3.63000e+00 | |||
| Coefficient B | 5.69800e-01 | |||
| Coefficient C | -6.47000e-04 | |||
| Coefficient D | 2.52800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 108.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 128.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 142.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 152.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 159.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 164.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 166.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 168.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 169.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 171.97 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, 1-bromo-1,1,2,2-tetrafluoro-2-iodo-.
Sources
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