- InChI
- InChI=1S/C8H4ClF3O2/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H
- InChI Key
- ZXKKOFJYPRJFIE-UHFFFAOYSA-N
- Formula
- C8H4ClF3O2
- SMILES
- O=C(Cl)c1ccc(OC(F)(F)F)cc1
- Molecular Weight1
- 224.56
- CAS
- 36823-88-8
- 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 | -941.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.964 | Crippen Calculated Property | |
| McVol | 124.810 | ml/mol | McGowan Calculated Property |
| Tboil | 458.37 | K | Relay (1.0) Calculated Property |
| Tfus | 249.77 | 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 | [266.30; 314.32] | J/mol×K | [522.40; 728.51] | 
|
| Cp,gas | 266.30 | J/mol×K | 522.40 | Joback Calculated Property |
| Cp,gas | 275.92 | J/mol×K | 556.75 | Joback Calculated Property |
| Cp,gas | 284.85 | J/mol×K | 591.10 | Joback Calculated Property |
| Cp,gas | 293.13 | J/mol×K | 625.46 | Joback Calculated Property |
| Cp,gas | 300.78 | J/mol×K | 659.81 | Joback Calculated Property |
| Cp,gas | 307.83 | J/mol×K | 694.16 | Joback Calculated Property |
| Cp,gas | 314.32 | J/mol×K | 728.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethoxy)benzoylchloride.
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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