- InChI
- InChI=1S/C3Br2F6/c4-1(6,2(5,7)8)3(9,10)11
- InChI Key
- KTULQNFKNLFOHL-UHFFFAOYSA-N
- Formula
- C3Br2F6
- SMILES
- FC(F)(F)C(F)(Br)C(F)(F)Br
- Molecular Weight1
- 309.83
- Other Names
-
- Propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro-
- 1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3600 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1277.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.597 | Crippen Calculated Property | |
| McVol | 98.750 | ml/mol | McGowan Calculated Property |
| Pc | 4000.70 | kPa | Joback Calculated Property |
| Tboil | 345.90 | K | NIST |
| Tc | 491.13 | K | Relay (1.0) Calculated Property |
| Tfus | 131.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.382 | 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 344.20 | K | 97.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.91; 239.07] | 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 | -2.03300e+01 | |||
| Coefficient B | 8.13400e-01 | |||
| Coefficient C | -8.96000e-04 | |||
| Coefficient D | 3.42000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 141.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 170.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 192.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 207.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 218.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 225.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 230.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 233.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 235.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 239.07 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dibromo-1,1,2,3,3,3,-hexafluoropropane.
Sources
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