- InChI
- InChI=1S/C8H6F2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
- InChI Key
- QEWHNJPLPZOEKU-UHFFFAOYSA-N
- Formula
- C8H6F2O
- SMILES
- CC(=O)c1ccc(F)cc1F
- Molecular Weight1
- 156.13
- Other Names
-
- Acetophenone, 2',4'-difluoro-
- 2,4-Difluoroacetophenone
- 2',4'-Difluoroacetophenone
- 1-(2,4-difluorophenyl)ethan-1-one
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 17.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.167 | Crippen Calculated Property | |
| McVol | 104.930 | ml/mol | McGowan Calculated Property |
| Tboil | 456.51 | K | Relay (1.0) Calculated Property |
| Tfus | 285.51 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [209.37; 260.45] | J/mol×K | [471.49; 672.86] | 
|
| Cp,gas | 209.37 | J/mol×K | 471.49 | Joback Calculated Property |
| Cp,gas | 219.12 | J/mol×K | 505.05 | Joback Calculated Property |
| Cp,gas | 228.36 | J/mol×K | 538.61 | Joback Calculated Property |
| Cp,gas | 237.10 | J/mol×K | 572.17 | Joback Calculated Property |
| Cp,gas | 245.36 | J/mol×K | 605.73 | Joback Calculated Property |
| Cp,gas | 253.14 | J/mol×K | 639.29 | Joback Calculated Property |
| Cp,gas | 260.45 | J/mol×K | 672.86 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [353.50; 353.70] | K | [3.30; 3.30] |
|
| Tboilr | 353.70 | K | 3.30 | NIST |
| Tboilr | 353.50 ± 0.50 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2,4-difluorophenyl)-.
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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