- InChI
- InChI=1S/C5H5F3O2/c1-3(2-4(9)10)5(6,7)8/h2H,1H3,(H,9,10)/b3-2+
- InChI Key
- QRRCTLYMABZQCS-NSCUHMNNSA-N
- Formula
- C5H5F3O2
- SMILES
- CC(=CC(=O)O)C(F)(F)F
- Molecular Weight1
- 154.09
- CAS
- 69056-67-3
- Other Names
-
- 4,4,4-Trifluoro-3-methyl-2-butenoic acid
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5610 | Relay (1.0) Calculated Property | |
| ΔfG° | -784.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1044.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.580 | Crippen Calculated Property | |
| McVol | 89.760 | ml/mol | McGowan Calculated Property |
| Pc | 3896.50 | kPa | Joback Calculated Property |
| Tboil | 433.50 ± 2.50 | K | NIST |
| Tc | 574.90 | K | Relay (1.0) Calculated Property |
| Tfus | 284.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.302 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.06; 231.56] | J/mol×K | [458.47; 626.57] | 
|
| Cp,gas | 195.06 | J/mol×K | 458.47 | Joback Calculated Property |
| Cp,gas | 202.22 | J/mol×K | 486.49 | Joback Calculated Property |
| Cp,gas | 208.91 | J/mol×K | 514.50 | Joback Calculated Property |
| Cp,gas | 215.16 | J/mol×K | 542.52 | Joback Calculated Property |
| Cp,gas | 221.01 | J/mol×K | 570.53 | Joback Calculated Property |
| Cp,gas | 226.46 | J/mol×K | 598.55 | Joback Calculated Property |
| Cp,gas | 231.56 | J/mol×K | 626.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethylcrotonic acid.
Sources
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