- InChI
- InChI=1S/C2H2F3/c1-2(3,4)5/h1H2
- InChI Key
- COLOHWPRNRVWPI-UHFFFAOYSA-N
- Formula
- C2H2F3
- SMILES
- [CH2]C(F)(F)F
- Molecular Weight1
- 83.03
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 |
|---|---|---|---|
| ΔfH°gas | -674.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.44 | kJ/mol | Joback Calculated Property |
| IE | 10.60 ± 0.10 | eV | NIST |
| logPoct/wat | 1.383 | Crippen Calculated Property | |
| McVol | 42.200 | ml/mol | McGowan Calculated Property |
| Pc | 4553.06 | kPa | Joback Calculated Property |
| Tc | 327.92 | K | Relay (1.0) Calculated Property |
| Tfus | 116.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.174 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [65.53; 129.06] | 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 | -2.55390e+01 | |||
| Coefficient B | 4.58100e-01 | |||
| Coefficient C | -5.13400e-04 | |||
| Coefficient D | 2.09900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 65.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 81.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 93.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 102.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 109.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 114.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 118.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 121.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 124.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 129.06 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trifluoroethyl radical.
Sources
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