- InChI
- InChI=1S/C2H2ClF3/c3-1(4)2(5)6/h1-2H
- InChI Key
- FWAQVJAOVDYHAF-UHFFFAOYSA-N
- Formula
- C2H2ClF3
- SMILES
- FC(F)C(F)Cl
- Molecular Weight1
- 118.48
- CAS
- 431-07-2
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor 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 | 0.2896 | Relay (1.0) Calculated Property | |
| ΔfG° | -635.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -722.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.33 | kJ/mol | Joback Calculated Property |
| IE | 12.01 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.786 | Crippen Calculated Property | |
| McVol | 56.590 | ml/mol | McGowan Calculated Property |
| Pc | 4077.71 | kPa | Joback Calculated Property |
| Tboil | 293.41 | K | Relay (1.0) Calculated Property |
| Tc | 461.99 | K | Relay (1.0) Calculated Property |
| Tfus | 200.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.242 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, 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 | [85.28; 153.07] | 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 | 2.88700e+01 | |||
| Coefficient B | 2.47800e-01 | |||
| Coefficient C | -1.61000e-04 | |||
| Coefficient D | 3.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 85.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 98.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 109.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 118.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 127.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 134.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 140.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 145.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 149.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 153.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 227.37] | kPa | [213.97; 308.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57537e+01 | |||
| Coefficient B | -2.93521e+03 | |||
| Coefficient C | -2.41870e+01 | |||
| Temperature range, min. | 213.97 | |||
| Temperature range, max. | 308.41 | |||
| Pvap | 1.33 | kPa | 213.97 | Calculated Property |
| Pvap | 3.00 | kPa | 224.46 | Calculated Property |
| Pvap | 6.22 | kPa | 234.96 | Calculated Property |
| Pvap | 12.04 | kPa | 245.45 | Calculated Property |
| Pvap | 21.95 | kPa | 255.94 | Calculated Property |
| Pvap | 37.99 | kPa | 266.44 | Calculated Property |
| Pvap | 62.82 | kPa | 276.93 | Calculated Property |
| Pvap | 99.81 | kPa | 287.42 | Calculated Property |
| Pvap | 153.04 | kPa | 297.92 | Calculated Property |
| Pvap | 227.37 | kPa | 308.41 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-chloro-1,2,2-trifluoroethane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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