- InChI
- InChI=1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
- InChI Key
- OXZYBOLWRXENKT-UHFFFAOYSA-N
- Formula
- C8H4ClF3O
- SMILES
- O=C(Cl)c1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 208.56
- CAS
- 329-15-7
- Other Names
-
- p-Trifluoromethylbenzoyl chloride
- Benzoyl chloride, 4-(trifluoromethyl)-
- «alpha»,«alpha»,«alpha»-Trifluoro-p-toluoyl chloride
- p-Toluoyl chloride, «alpha»,«alpha»,«alpha»-trifluoro-
- p-Trifluoromethyl benzoic acid chloride
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | -603.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.72 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 3.084 | Crippen Calculated Property | |
| McVol | 118.940 | ml/mol | McGowan Calculated Property |
| Pc | 3228.31 | kPa | Joback Calculated Property |
| Tboil | 499.98 | K | Joback Calculated Property |
| Tc | 708.00 | K | Joback Calculated Property |
| Tfus | 302.90 | K | Joback Calculated Property |
| Vc | 0.473 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.85; 293.57] | J/mol×K | [499.98; 708.00] | 
|
| Cp,gas | 244.85 | J/mol×K | 499.98 | Joback Calculated Property |
| Cp,gas | 254.75 | J/mol×K | 534.65 | Joback Calculated Property |
| Cp,gas | 263.88 | J/mol×K | 569.32 | Joback Calculated Property |
| Cp,gas | 272.28 | J/mol×K | 603.99 | Joback Calculated Property |
| Cp,gas | 280.00 | J/mol×K | 638.66 | Joback Calculated Property |
| Cp,gas | 287.08 | J/mol×K | 673.33 | Joback Calculated Property |
| Cp,gas | 293.57 | J/mol×K | 708.00 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [351.50; 351.50] | K | [2.10; 2.10] |
|
| Tboilr | 351.50 ± 0.50 | K | 2.10 | NIST |
| Tboilr | 351.50 ± 0.50 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)benzoyl chloride.
Sources
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