- InChI
- InChI=1S/C3HBrF6/c4-2(6,7)1(5)3(8,9)10/h1H
- InChI Key
- UBSZSCBAJXCXOO-UHFFFAOYSA-N
- Formula
- C3HBrF6
- SMILES
- FC(C(F)(F)F)C(F)(F)Br
- Molecular Weight1
- 230.93
- CAS
- 2252-78-0
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1319.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.58 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.875 | Crippen Calculated Property | |
| McVol | 81.250 | ml/mol | McGowan Calculated Property |
| Pc | 3624.61 | kPa | Joback Calculated Property |
| Tboil | 308.60 | K | NIST |
| Tc | 443.90 | K | Relay (1.0) Calculated Property |
| Tfus | 110.75 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [129.07; 229.07] | 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 | -5.73000e+00 | |||
| Coefficient B | 6.55300e-01 | |||
| Coefficient C | -6.56000e-04 | |||
| Coefficient D | 2.35500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 129.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 174.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 189.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 201.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 210.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 216.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 221.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 225.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 229.07 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-1,1,2,3,3,3-hexafluoropropane.
Sources
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