- InChI
- InChI=1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
- InChI Key
- RAAGZOYMEQDCTD-UHFFFAOYSA-N
- Formula
- C7H4ClFO
- SMILES
- O=C(Cl)c1ccccc1F
- Molecular Weight1
- 158.56
- CAS
- 393-52-2
- Other Names
-
- o-Fluorobenzoyl chloride
- 2-Fluorobenzoyl chloride
- ortho-Fluorobenzoyl chloride
- Benzoyl chloride, o-fluoro-
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4118 | Relay (... Calculated Property | |
| ΔfG° | -224.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.02 | kJ/mol | Relay (... Calculated Property |
| IE | 9.71 | eV | Relay (... Calculated Property |
| log10WS | -2.39 | Relay (... Calculated Property | |
| logPoct/wat | 2.205 | Crippen Calculated Property | |
| McVol | 101.310 | ml/mol | McGowan Calculated Property |
| Pc | 3940.66 | kPa | Joback Calculated Property |
| Tboil | 455.84 | K | Relay (... Calculated Property |
| Tc | 691.29 | K | Relay (... Calculated Property |
| Tfus | 245.55 | K | Relay (... Calculated Property |
| Vc | 0.371 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.28; 228.92] | J/mol×K | [481.79; 702.19] | 
|
| Cp,gas | 184.28 | J/mol×K | 481.79 | Joback Calculated Property |
| Cp,gas | 193.11 | J/mol×K | 518.52 | Joback Calculated Property |
| Cp,gas | 201.35 | J/mol×K | 555.26 | Joback Calculated Property |
| Cp,gas | 209.03 | J/mol×K | 591.99 | Joback Calculated Property |
| Cp,gas | 216.17 | J/mol×K | 628.72 | Joback Calculated Property |
| Cp,gas | 222.79 | J/mol×K | 665.46 | Joback Calculated Property |
| Cp,gas | 228.92 | J/mol×K | 702.19 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [364.00; 364.20] | K | [2.00; 2.00] |
|
| Tboilr | 364.00 ± 1.00 | K | 2.00 | NIST |
| Tboilr | 364.00 ± 1.00 | K | 2.00 | NIST |
| Tboilr | 364.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Benzoyl chloride, 2-fluoro-.
Sources
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