- InChI
- InChI=1S/C3H5F3O/c1-7-2-3(4,5)6/h2H2,1H3
- InChI Key
- OHLVGBXMHDWRRX-UHFFFAOYSA-N
- Formula
- C3H5F3O
- SMILES
- COCC(F)(F)F
- Molecular Weight1
- 114.07
- CAS
- 460-43-5
- Other Names
-
- CF3CH2OCH3
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 747.60 | kJ/mol | NIST |
| BasG | 718.40 | kJ/mol | NIST |
| ΔfusH° | 6.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 25.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.53 | eV | NIST |
| logPoct/wat | 1.195 | Crippen Calculated Property | |
| McVol | 64.310 | ml/mol | McGowan Calculated Property |
| Pc | 3513.00 ± 6.00 | kPa | NIST |
| ρc | 411.78 ± 4.56 | kg/m3 | NIST |
| Tboil | 304.77 ± 0.10 | K | NIST |
| Tc | 448.98 ± 0.08 | K | NIST |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [110.81; 144.36] | J/mol×K | [285.04; 430.19] | 
|
| Cp,gas | 110.81 | J/mol×K | 285.04 | Joback Calculated Property |
| Cp,gas | 116.96 | J/mol×K | 309.23 | Joback Calculated Property |
| Cp,gas | 122.87 | J/mol×K | 333.42 | Joback Calculated Property |
| Cp,gas | 128.57 | J/mol×K | 357.61 | Joback Calculated Property |
| Cp,gas | 134.05 | J/mol×K | 381.81 | Joback Calculated Property |
| Cp,gas | 139.31 | J/mol×K | 406.00 | Joback Calculated Property |
| Cp,gas | 144.36 | J/mol×K | 430.19 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.69] | kPa | [227.82; 322.89] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59829e+01 | |||
| Coefficient B | -3.16951e+03 | |||
| Coefficient C | -2.58760e+01 | |||
| Temperature range, min. | 227.82 | |||
| Temperature range, max. | 322.89 | |||
| Pvap | 1.33 | kPa | 227.82 | Calculated Property |
| Pvap | 2.91 | kPa | 238.38 | Calculated Property |
| Pvap | 5.90 | kPa | 248.95 | Calculated Property |
| Pvap | 11.21 | kPa | 259.51 | Calculated Property |
| Pvap | 20.16 | kPa | 270.07 | Calculated Property |
| Pvap | 34.53 | kPa | 280.64 | Calculated Property |
| Pvap | 56.66 | kPa | 291.20 | Calculated Property |
| Pvap | 89.52 | kPa | 301.76 | Calculated Property |
| Pvap | 136.75 | kPa | 312.33 | Calculated Property |
| Pvap | 202.69 | kPa | 322.89 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trifluoroethyl methyl ether.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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