- InChI
- InChI=1S/C7H2ClF3O/c8-7(12)3-1-2-4(9)6(11)5(3)10/h1-2H
- InChI Key
- NXRQXCFBZGIRGN-UHFFFAOYSA-N
- Formula
- C7H2ClF3O
- SMILES
- O=C(Cl)c1ccc(F)c(F)c1F
- Molecular Weight1
- 194.54
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- 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 | 0.4675 | Relay (1.0) Calculated Property | |
| ΔfusH° | 21.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.483 | Crippen Calculated Property | |
| McVol | 104.850 | ml/mol | McGowan Calculated Property |
| Pc | 3407.89 | kPa | Joback Calculated Property |
| Inp | 1054.00 | NIST | |
| Tboil | 448.10 | K | Relay (1.0) Calculated Property |
| Tc | 659.00 | K | Relay (1.0) Calculated Property |
| Tfus | 259.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [200.22; 237.59] | J/mol×K | [490.49; 691.01] | 
|
| Cp,gas | 200.22 | J/mol×K | 490.49 | Joback Calculated Property |
| Cp,gas | 207.40 | J/mol×K | 523.91 | Joback Calculated Property |
| Cp,gas | 214.19 | J/mol×K | 557.33 | Joback Calculated Property |
| Cp,gas | 220.59 | J/mol×K | 590.75 | Joback Calculated Property |
| Cp,gas | 226.62 | J/mol×K | 624.17 | Joback Calculated Property |
| Cp,gas | 232.28 | J/mol×K | 657.59 | Joback Calculated Property |
| Cp,gas | 237.59 | J/mol×K | 691.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorobenzoyl chloride.
Sources
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