- InChI
- InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
- InChI Key
- OCJKUQIPRNZDTK-UHFFFAOYSA-N
- Formula
- C6H7F3O3
- SMILES
- CCOC(=O)CC(=O)C(F)(F)F
- Molecular Weight1
- 184.11
- CAS
- 372-31-6
- Other Names
-
- Ethyl trifluoroacetoacetate
- Ethyl 4,4,4-trifluoroacetoacetate
- Ethyl «gamma»,«gamma»,«gamma»-trifluoroacetoacetate
- 4,4,4-Trifluoroacetoacetic acid ethyl ester
- Ethyl «omega»,«omega»,«omega»-trifluoroacetoacetate
- Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester
- Ethyl (trifluoroacetyl)acetate
- Acetoacetic acid, 4-trifluoro-, ethyl ester
- Ethyl 4,4,4-trifluoro-3-oxobutanoate
- Ethyl 4,4,4-trifluoro-3-oxobutyrate
- NSC 42739
- 4,4,4-Trifluoro-3-oxobutanoic acid ethyl ester
- 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° | -944.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1121.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.10 | kJ/mol | Joback Calculated Property |
| log10WS | -1.14 | Crippen Calculated Property | |
| logPoct/wat | 1.071 | Crippen Calculated Property | |
| McVol | 109.720 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Tboil | [402.50; 402.70] | K |
|
| Tboil | 402.70 | K | NIST |
| Tboil | 402.50 ± 0.50 | K | NIST |
| Tc | 633.71 | K | Joback Calculated Property |
| Tfus | 283.66 | K | Joback Calculated Property |
| Vc | 0.445 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.19; 290.37] | J/mol×K | [461.42; 633.71] |
|
| Cp,gas | 243.19 | J/mol×K | 461.42 | Joback Calculated Property |
| Cp,gas | 252.10 | J/mol×K | 490.14 | Joback Calculated Property |
| Cp,gas | 260.58 | J/mol×K | 518.85 | Joback Calculated Property |
| Cp,gas | 268.64 | J/mol×K | 547.57 | Joback Calculated Property |
| Cp,gas | 276.28 | J/mol×K | 576.28 | Joback Calculated Property |
| Cp,gas | 283.52 | J/mol×K | 605.00 | Joback Calculated Property |
| Cp,gas | 290.37 | J/mol×K | 633.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester.
Sources
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