- InChI
- InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)
- InChI Key
- IQNHBUQSOSYAJU-UHFFFAOYSA-N
- Formula
- C3H4F3NO
- SMILES
- CNC(=O)C(F)(F)F
- Molecular Weight1
- 127.06
- Other Names
-
- 2,2,2-Trifluoro-N-methylacetamide
- N-Methyl-2,2,2-trifluoroacetamide
- N-Methyltrifluoroacetamide
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3255 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -826.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.32 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.295 | Crippen Calculated Property | |
| McVol | 69.990 | ml/mol | McGowan Calculated Property |
| Pc | 4183.90 | kPa | Joback Calculated Property |
| Tboil | 429.70 | K | NIST |
| Tc | 495.48 | K | Relay (1.0) Calculated Property |
| Tfus | 324.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.255 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [109.37; 222.69] | 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 | 1.10000e-01 | |||
| Coefficient B | 4.98220e-01 | |||
| Coefficient C | -3.90300e-04 | |||
| Coefficient D | 1.14660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 132.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 152.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 168.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 182.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 194.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 203.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 211.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 217.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 222.69 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, 2,2,2-trifluoro-N-methyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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