- 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
-
- 1,1,1-trifluoro-2-(methoxy)ethane
- 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).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 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° | 26.87 | 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 | [3509.00; 3513.00] | kPa |
|
| Pc | 3509.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
| 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; 449.05] | K |
|
| Tc | 449.05 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
| Tc | 448.98 ± 0.08 | K | NIST |
| Vc | 0.277 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
| Zc | 0.2600000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
Cheméo can also estimate Normal melting (fusion) point, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [107.66; 215.28] | 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 | 1.94610e+01 | |||
| Coefficient B | 3.86820e-01 | |||
| Coefficient C | -2.49400e-04 | |||
| Coefficient D | 5.84000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 107.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 127.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 145.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 160.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 173.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 185.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 194.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 202.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 209.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 215.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.69] | kPa | [227.82; 322.89] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 ChEDL chemicals 1.5.2, from Ambrose, D.; Tsonopoulos, C.; Nikitin, E. D. Vapor-Liquid Critical Properties of Elements and Compounds. 11. Organic Compounds Containing B + O; Halogens + N, + O, + O + S, + S, + Si; N + O; and O + S, + Si. J. Chem. Eng. Data 2009, 54, 669-689.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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