- InChI
- InChI=1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H
- InChI Key
- ZCJAYDKWZAWMPR-UHFFFAOYSA-N
- Formula
- C6H4ClF
- SMILES
- Fc1ccccc1Cl
- Molecular Weight1
- 130.55
- CAS
- 348-51-6
- Other Names
-
- 1-Fluoro-2-chlorobenzene
- 1-chloro-2-fluorobenzene
- 2-Chlorofluorobenzene
- 2-chloro-1-fluorobenzene
- o-Chlorofluorobenzene
- o-Fluorochlorobenzene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.2711 | Relay (1.0) Calculated Property | |
| ΔfG° | -104.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.16; 9.18] | eV |
|
| IE | 9.18 ± 0.02 | eV | NIST |
| IE | 9.18 ± 0.01 | eV | NIST |
| IE | 9.16 ± 0.01 | eV | NIST |
| IE | 9.16 | eV | NIST |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.479 | Crippen Calculated Property | |
| McVol | 85.650 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Inp | [835.20; 862.00] |
|
|
| Inp | 862.00 | NIST | |
| Inp | 835.20 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 835.20 | NIST | |
| Tboil | [410.50; 410.80] | K |
|
| Tboil | 410.50 ± 0.50 | K | NIST |
| Tboil | 410.80 | K | NIST |
| Tc | 629.10 | K | Relay (1.0) Calculated Property |
| Tfus | 229.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.321 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.91; 178.96] | J/mol×K | [405.04; 616.31] |
|
| Cp,gas | 135.91 | J/mol×K | 405.04 | Joback Calculated Property |
| Cp,gas | 144.28 | J/mol×K | 440.25 | Joback Calculated Property |
| Cp,gas | 152.15 | J/mol×K | 475.46 | Joback Calculated Property |
| Cp,gas | 159.53 | J/mol×K | 510.67 | Joback Calculated Property |
| Cp,gas | 166.45 | J/mol×K | 545.88 | Joback Calculated Property |
| Cp,gas | 172.92 | J/mol×K | 581.09 | Joback Calculated Property |
| Cp,gas | 178.96 | J/mol×K | 616.31 | Joback Calculated Property |
| ΔvapH | 44.00 | kJ/mol | 298.15 | Vaporization enthalpies of a series of the halogen-substituted fluorobenzenes |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-2-fluoro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vaporization enthalpies of a series of the halogen-substituted fluorobenzenes
- Joback Method
- McGowan Method
- NIST Webbook
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