- InChI
- InChI=1S/C6H9F3O2/c1-2-3-5(10)11-4-6(7,8)9/h2-4H2,1H3
- InChI Key
- DEXWRCYOMLUJRF-UHFFFAOYSA-N
- Formula
- C6H9F3O2
- SMILES
- CCCC(=O)OCC(F)(F)F
- Molecular Weight1
- 170.13
- CAS
- 371-27-7
- Other Names
-
- Butanoic acid, 2,2,2-trifluoroethyl ester
- Butyric acid, TFE
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -815.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1009.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.36 | kJ/mol | Joback Calculated Property |
| log10WS | -1.86 | Crippen Calculated Property | |
| logPoct/wat | 1.892 | Crippen Calculated Property | |
| McVol | 108.150 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Tboil | 385.15 ± 1.50 | K | NIST |
| Tc | 568.90 | K | Joback Calculated Property |
| Tfus | 233.73 | K | Joback Calculated Property |
| Vc | 0.439 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.81; 278.54] | J/mol×K | [407.55; 568.90] | 
|
| Cp,gas | 226.81 | J/mol×K | 407.55 | Joback Calculated Property |
| Cp,gas | 236.43 | J/mol×K | 434.44 | Joback Calculated Property |
| Cp,gas | 245.63 | J/mol×K | 461.33 | Joback Calculated Property |
| Cp,gas | 254.43 | J/mol×K | 488.23 | Joback Calculated Property |
| Cp,gas | 262.84 | J/mol×K | 515.12 | Joback Calculated Property |
| Cp,gas | 270.88 | J/mol×K | 542.01 | Joback Calculated Property |
| Cp,gas | 278.54 | J/mol×K | 568.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trifluoroethylbutyrate.
Sources
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