- InChI
- InChI=1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
- InChI Key
- LUKLMXJAEKXROG-UHFFFAOYSA-N
- Formula
- C8H4F4O
- SMILES
- O=C(c1ccc(F)cc1)C(F)(F)F
- Molecular Weight1
- 192.11
- CAS
- 655-32-3
- Other Names
-
- 2,2,2-trifluoro-1-(4-fluorophenyl)ethan-1-one
- 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 | 0.3742 | Relay (... Calculated Property | |
| ΔfG° | -786.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -911.50 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.77 | kJ/mol | Relay (... Calculated Property |
| IE | 10.01 | eV | Relay (... Calculated Property |
| log10WS | -2.10 | Relay (... Calculated Property | |
| logPoct/wat | 2.571 | Crippen Calculated Property | |
| McVol | 108.470 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Tboil | 431.97 | K | Relay (... Calculated Property |
| Tc | 600.04 | K | Relay (... Calculated Property |
| Tfus | 255.61 | K | Relay (... Calculated Property |
| Vc | 0.393 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.03; 280.36] | J/mol×K | [461.82; 653.60] | 
|
| Cp,gas | 229.03 | J/mol×K | 461.82 | Joback Calculated Property |
| Cp,gas | 239.23 | J/mol×K | 493.78 | Joback Calculated Property |
| Cp,gas | 248.72 | J/mol×K | 525.75 | Joback Calculated Property |
| Cp,gas | 257.55 | J/mol×K | 557.71 | Joback Calculated Property |
| Cp,gas | 265.74 | J/mol×K | 589.67 | Joback Calculated Property |
| Cp,gas | 273.33 | J/mol×K | 621.63 | Joback Calculated Property |
| Cp,gas | 280.36 | J/mol×K | 653.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2,4'-Tetrafluoroacetophenone.
Sources
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