- InChI
- InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2,9H,1H3/b3-2-
- InChI Key
- GEGQNWRDBRXWDX-IHWYPQMZSA-N
- Formula
- C5H5F3O2
- SMILES
- CC(O)=CC(=O)C(F)(F)F
- Molecular Weight1
- 154.09
- CAS
- 7291-30-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1024.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.580 | Crippen Calculated Property | |
| McVol | 89.760 | ml/mol | McGowan Calculated Property |
| Tboil | 417.48 | K | Relay (1.0) Calculated Property |
| Tfus | 232.40 ± 0.10 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.11; 231.60] | J/mol×K | [458.67; 626.84] | 
|
| Cp,gas | 195.11 | J/mol×K | 458.67 | Joback Calculated Property |
| Cp,gas | 202.27 | J/mol×K | 486.70 | Joback Calculated Property |
| Cp,gas | 208.96 | J/mol×K | 514.73 | Joback Calculated Property |
| Cp,gas | 215.22 | J/mol×K | 542.76 | Joback Calculated Property |
| Cp,gas | 221.06 | J/mol×K | 570.78 | Joback Calculated Property |
| Cp,gas | 226.51 | J/mol×K | 598.81 | Joback Calculated Property |
| Cp,gas | 231.60 | J/mol×K | 626.84 | Joback Calculated Property |
| ΔfusH | [8.45; 8.45] | kJ/mol | [232.40; 232.40] |
|
| ΔfusH | 8.45 | kJ/mol | 232.40 | NIST |
| ΔfusH | 8.45 | kJ/mol | 232.40 | NIST |
| ΔfusS | 36.40 | J/mol×K | 232.40 | NIST |
Similar Compounds
Find more compounds similar to Trifluoromethyl (2-hydroxy-1-propenyl) ketone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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