- InChI
- InChI=1S/C11H11F3O/c1-6-4-7(2)9(8(3)5-6)10(15)11(12,13)14/h4-5H,1-3H3
- InChI Key
- VINRTVDNUHIWCB-UHFFFAOYSA-N
- Formula
- C11H11F3O
- SMILES
- Cc1cc(C)c(C(=O)C(F)(F)F)c(C)c1
- Molecular Weight1
- 216.20
- CAS
- 313-56-4
- Other Names
-
- 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone
- 2,2,2-Trifluoro-1-(2,4,6-trimethyl-phenyl)-ethanone
- «alpha»,«alpha»,«alpha»-Trifluoro-2,4,6-trimethylacetophenone
- 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).
- 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).
- 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 | -800.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.357 | Crippen Calculated Property | |
| McVol | 148.970 | ml/mol | McGowan Calculated Property |
| Tboil | 472.42 | K | Relay (1.0) Calculated Property |
| Tfus | 248.38 | K | Relay (1.0) Calculated Property |
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 | [349.47; 415.14] | J/mol×K | [541.15; 737.75] | 
|
| Cp,gas | 349.47 | J/mol×K | 541.15 | Joback Calculated Property |
| Cp,gas | 362.18 | J/mol×K | 573.92 | Joback Calculated Property |
| Cp,gas | 374.14 | J/mol×K | 606.68 | Joback Calculated Property |
| Cp,gas | 385.38 | J/mol×K | 639.45 | Joback Calculated Property |
| Cp,gas | 395.94 | J/mol×K | 672.22 | Joback Calculated Property |
| Cp,gas | 405.85 | J/mol×K | 704.98 | Joback Calculated Property |
| Cp,gas | 415.14 | J/mol×K | 737.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)-.
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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