- InChI
- InChI=1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3
- InChI Key
- VMVNZNXAVJHNDJ-UHFFFAOYSA-N
- Formula
- C3H3F3O2
- SMILES
- COC(=O)C(F)(F)F
- Molecular Weight1
- 128.05
- Other Names
-
- Trifluoroacetic acid methyl ester
- Acetic acid, trifluoro-, methyl ester
- CF3C(O)OCH3
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Inp : Non-polar retention indices.
- 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 | 0.2725 | Relay (1.0) Calculated Property | |
| PAff | 740.50 | kJ/mol | NIST |
| BasG | 709.60 | kJ/mol | NIST |
| ΔfH°gas | -992.90 ± 5.40 | kJ/mol | NIST |
| ΔfH°liquid | -1020.00 ± 5.90 | kJ/mol | NIST |
| ΔfusH° | 9.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.00 ± 3.00 | kJ/mol | NIST |
| IE | 11.43 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.722 | Crippen Calculated Property | |
| McVol | 65.880 | ml/mol | McGowan Calculated Property |
| Pc | 3824.55 | kPa | Joback Calculated Property |
| Inp | [400.00; 400.40] |
|
|
| Inp | 400.00 | NIST | |
| Inp | 400.40 | NIST | |
| Tboil | [316.50; 316.50] | K |
|
| Tboil | 316.50 | K | NIST |
| Tboil | 316.50 ± 0.50 | K | NIST |
| Tc | 438.39 | K | Relay (1.0) Calculated Property |
| Tfus | 211.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.247 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.71; 153.61] | J/mol×K | [321.04; 477.61] |
|
| Cp,gas | 120.71 | J/mol×K | 321.04 | Joback Calculated Property |
| Cp,gas | 126.88 | J/mol×K | 347.14 | Joback Calculated Property |
| Cp,gas | 132.77 | J/mol×K | 373.23 | Joback Calculated Property |
| Cp,gas | 138.38 | J/mol×K | 399.33 | Joback Calculated Property |
| Cp,gas | 143.72 | J/mol×K | 425.42 | Joback Calculated Property |
| Cp,gas | 148.79 | J/mol×K | 451.52 | Joback Calculated Property |
| Cp,gas | 153.61 | J/mol×K | 477.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl trifluoroacetate.
Sources
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