- InChI
- InChI=1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
- InChI Key
- ZKRJCMKLCDWROR-ONEGZZNKSA-N
- Formula
- C6H7F3O2
- SMILES
- CCOC(=O)C=CC(F)(F)F
- Molecular Weight1
- 168.11
- CAS
- 25597-16-4
- Other Names
-
- 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (2E)-
- ETHYL-4,4,4-TRIFLUORO-2-BUTENOATE
- 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° | -735.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -891.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.32 | kJ/mol | Joback Calculated Property |
| log10WS | -1.71 | Crippen Calculated Property | |
| logPoct/wat | 1.668 | Crippen Calculated Property | |
| McVol | 103.850 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Tboil | 387.70 | K | NIST |
| Tc | 580.99 | K | Joback Calculated Property |
| Tfus | 228.65 | K | Joback Calculated Property |
| Vc | 0.418 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.48; 260.31] | J/mol×K | [411.71; 580.99] | 
|
| Cp,gas | 211.48 | J/mol×K | 411.71 | Joback Calculated Property |
| Cp,gas | 220.77 | J/mol×K | 439.92 | Joback Calculated Property |
| Cp,gas | 229.57 | J/mol×K | 468.14 | Joback Calculated Property |
| Cp,gas | 237.91 | J/mol×K | 496.35 | Joback Calculated Property |
| Cp,gas | 245.80 | J/mol×K | 524.57 | Joback Calculated Property |
| Cp,gas | 253.26 | J/mol×K | 552.78 | Joback Calculated Property |
| Cp,gas | 260.31 | J/mol×K | 580.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 4,4,4-trifluorocrotonate.
Sources
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