- InChI
- InChI=1S/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3/b4-3-
- InChI Key
- NXVKRKUGIINGHD-ARJAWSKDSA-N
- Formula
- C6H8F3NO2
- SMILES
- CCOC(=O)C=C(N)C(F)(F)F
- Molecular Weight1
- 183.13
- CAS
- 372-29-2
- Other Names
-
- 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, 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° | -677.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -867.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.04 | kJ/mol | Joback Calculated Property |
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 0.954 | Crippen Calculated Property | |
| McVol | 113.830 | ml/mol | McGowan Calculated Property |
| Pc | 3265.31 | kPa | Joback Calculated Property |
| Tboil | 484.12 | K | Joback Calculated Property |
| Tc | 669.33 | K | Joback Calculated Property |
| Tfus | 297.95 | K | Joback Calculated Property |
| Vc | 0.449 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.81; 311.46] | J/mol×K | [484.12; 669.33] | 
|
| Cp,gas | 261.81 | J/mol×K | 484.12 | Joback Calculated Property |
| Cp,gas | 271.42 | J/mol×K | 514.99 | Joback Calculated Property |
| Cp,gas | 280.47 | J/mol×K | 545.86 | Joback Calculated Property |
| Cp,gas | 288.97 | J/mol×K | 576.72 | Joback Calculated Property |
| Cp,gas | 296.95 | J/mol×K | 607.59 | Joback Calculated Property |
| Cp,gas | 304.44 | J/mol×K | 638.46 | Joback Calculated Property |
| Cp,gas | 311.46 | J/mol×K | 669.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-amino-4,4,4-trifluorocrotonate.
Sources
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