- InChI
- InChI=1S/C5H5F3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H,1H3/b3-2+
- InChI Key
- DMMZYYLXAGRBDO-NSCUHMNNSA-N
- Formula
- C5H5F3O2
- SMILES
- COC(=O)C=CC(F)(F)F
- Molecular Weight1
- 154.09
- CAS
- 85694-31-1
- 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° | -744.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -871.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.09 | kJ/mol | Joback Calculated Property |
| log10WS | -1.29 | Crippen Calculated Property | |
| logPoct/wat | 1.278 | Crippen Calculated Property | |
| McVol | 89.760 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Tboil | 388.83 | K | Joback Calculated Property |
| Tc | 558.79 | K | Joback Calculated Property |
| Tfus | 217.38 | K | Joback Calculated Property |
| Vc | 0.362 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.08; 217.53] | J/mol×K | [388.83; 558.79] | 
|
| Cp,gas | 175.08 | J/mol×K | 388.83 | Joback Calculated Property |
| Cp,gas | 183.20 | J/mol×K | 417.16 | Joback Calculated Property |
| Cp,gas | 190.87 | J/mol×K | 445.48 | Joback Calculated Property |
| Cp,gas | 198.13 | J/mol×K | 473.81 | Joback Calculated Property |
| Cp,gas | 204.98 | J/mol×K | 502.14 | Joback Calculated Property |
| Cp,gas | 211.44 | J/mol×K | 530.46 | Joback Calculated Property |
| Cp,gas | 217.53 | J/mol×K | 558.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 4,4,4-trifluorocrotonate.
Sources
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