- 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
- CAS
- 431-47-0
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 |
| ΔfG° | -841.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -992.90 ± 5.40 | kJ/mol | NIST |
| ΔfH°liquid | -1020.00 ± 5.90 | kJ/mol | NIST |
| ΔfusH° | 8.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.00 ± 3.00 | kJ/mol | NIST |
| IE | 11.43 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.722 | Crippen Calculated Property | |
| McVol | 65.880 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Inp | [400.00; 400.40] |
|
|
| Inp | 400.00 | NIST | |
| Inp | 400.40 | NIST | |
| Inp | 400.00 | NIST | |
| Tboil | [316.50; 316.50] | K |
|
| Tboil | 316.50 | K | NIST |
| Tboil | 316.50 ± 0.50 | K | NIST |
| Tc | 434.89 | K | Relay (1.0) Calculated Property |
| Tfus | 214.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.245 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.85; 154.80] | J/mol×K | [338.91; 500.44] |
|
| Cp,gas | 123.85 | J/mol×K | 338.91 | Joback Calculated Property |
| Cp,gas | 129.63 | J/mol×K | 365.83 | Joback Calculated Property |
| Cp,gas | 135.15 | J/mol×K | 392.75 | Joback Calculated Property |
| Cp,gas | 140.42 | J/mol×K | 419.67 | Joback Calculated Property |
| Cp,gas | 145.45 | J/mol×K | 446.59 | Joback Calculated Property |
| Cp,gas | 150.24 | J/mol×K | 473.52 | Joback Calculated Property |
| Cp,gas | 154.80 | J/mol×K | 500.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl trifluoroacetate.
Sources
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