- InChI
- InChI=1S/C8H3ClF4O/c9-7(14)5-2-1-4(10)3-6(5)8(11,12)13/h1-3H
- InChI Key
- OEYHURRIOWWRMD-UHFFFAOYSA-N
- Formula
- C8H3ClF4O
- SMILES
- O=C(Cl)c1ccc(F)cc1C(F)(F)F
- Molecular Weight1
- 226.56
- CAS
- 189807-21-4
- 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 | 0.4711 | Relay (1.0) Calculated Property | |
| ΔfG° | -807.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -952.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.224 | Crippen Calculated Property | |
| McVol | 120.710 | ml/mol | McGowan Calculated Property |
| Pc | 3018.96 | kPa | Joback Calculated Property |
| Tboil | 455.09 | K | Relay (1.0) Calculated Property |
| Tc | 660.03 | K | Relay (1.0) Calculated Property |
| Tfus | 254.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.84; 297.83] | J/mol×K | [504.23; 702.93] | 
|
| Cp,gas | 252.84 | J/mol×K | 504.23 | Joback Calculated Property |
| Cp,gas | 261.87 | J/mol×K | 537.35 | Joback Calculated Property |
| Cp,gas | 270.24 | J/mol×K | 570.46 | Joback Calculated Property |
| Cp,gas | 277.99 | J/mol×K | 603.58 | Joback Calculated Property |
| Cp,gas | 285.15 | J/mol×K | 636.69 | Joback Calculated Property |
| Cp,gas | 291.75 | J/mol×K | 669.81 | Joback Calculated Property |
| Cp,gas | 297.83 | J/mol×K | 702.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-2-(trifluoromethyl)benzoyl chloride.
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