- InChI
- InChI=1S/C7H2ClF3O/c8-7(12)5-3(9)1-2-4(10)6(5)11/h1-2H
- InChI Key
- DMUGJQMADYEWSQ-UHFFFAOYSA-N
- Formula
- C7H2ClF3O
- SMILES
- O=C(Cl)c1c(F)ccc(F)c1F
- Molecular Weight1
- 194.54
- CAS
- 189807-20-3
- 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 | 0.4685 | Relay (1.0) Calculated Property | |
| ΔfG° | -633.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -605.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | 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 |
| Tboil | 455.84 | K | Relay (1.0) Calculated Property |
| Tc | 666.34 | K | Relay (1.0) Calculated Property |
| Tfus | 252.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.393 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.18; 237.54] | J/mol×K | [490.29; 690.73] | 
|
| Cp,gas | 200.18 | J/mol×K | 490.29 | Joback Calculated Property |
| Cp,gas | 207.35 | J/mol×K | 523.70 | Joback Calculated Property |
| Cp,gas | 214.14 | J/mol×K | 557.10 | Joback Calculated Property |
| Cp,gas | 220.54 | J/mol×K | 590.51 | Joback Calculated Property |
| Cp,gas | 226.57 | J/mol×K | 623.92 | Joback Calculated Property |
| Cp,gas | 232.24 | J/mol×K | 657.33 | Joback Calculated Property |
| Cp,gas | 237.54 | J/mol×K | 690.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trifluorobenzoyl chloride.
Sources
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