- InChI
- InChI=1S/C9H6F4O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3
- InChI Key
- SYFHRXQPXHETEF-UHFFFAOYSA-N
- Formula
- C9H6F4O
- SMILES
- CC(=O)c1ccc(F)c(C(F)(F)F)c1
- Molecular Weight1
- 206.14
- CAS
- 208173-24-4
- 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 | 0.4600 | Relay (... Calculated Property | |
| ΔfG° | -787.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -970.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.93 | kJ/mol | Relay (... Calculated Property |
| IE | 9.73 | eV | Relay (... Calculated Property |
| log10WS | -2.69 | Relay (... Calculated Property | |
| logPoct/wat | 3.047 | Crippen Calculated Property | |
| McVol | 122.560 | ml/mol | McGowan Calculated Property |
| Pc | 2832.35 | kPa | Joback Calculated Property |
| Tboil | 465.41 | K | Relay (... Calculated Property |
| Tc | 651.46 | K | Relay (... Calculated Property |
| Tfus | 282.10 | K | Relay (... Calculated Property |
| Vc | 0.452 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.25; 325.17] | J/mol×K | [489.68; 680.50] | 
|
| Cp,gas | 270.25 | J/mol×K | 489.68 | Joback Calculated Property |
| Cp,gas | 281.00 | J/mol×K | 521.48 | Joback Calculated Property |
| Cp,gas | 291.07 | J/mol×K | 553.29 | Joback Calculated Property |
| Cp,gas | 300.50 | J/mol×K | 585.09 | Joback Calculated Property |
| Cp,gas | 309.30 | J/mol×K | 616.89 | Joback Calculated Property |
| Cp,gas | 317.52 | J/mol×K | 648.70 | Joback Calculated Property |
| Cp,gas | 325.17 | J/mol×K | 680.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-3-(trifluoromethyl)acetophenone.
Sources
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