- InChI
- InChI=1S/C6H4ClF/c7-5-2-1-3-6(8)4-5/h1-4H
- InChI Key
- VZHJIJZEOCBKRA-UHFFFAOYSA-N
- Formula
- C6H4ClF
- SMILES
- Fc1cccc(Cl)c1
- Molecular Weight1
- 130.55
- CAS
- 625-98-9
- Other Names
-
- 1-Chloro-3-fluorobenzene
- 1-Fluoro-3-chlorobenzene
- 3-Chlorofluorobenzene
- 3-chloro-1-fluorobenzene
- m-Chlorofluorobenzene
- m-Fluorochlorobenzene
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | -104.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -153.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.46 | kJ/mol | Joback Calculated Property |
| IE | [9.21; 9.25] | eV |
|
| IE | 9.22 ± 0.02 | eV | NIST |
| IE | 9.21 ± 0.01 | eV | NIST |
| IE | 9.25 | eV | NIST |
| log10WS | -2.49 | Crippen 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 | [811.10; 835.40] |
|
|
| Inp | 835.40 | NIST | |
| Inp | 811.10 | NIST | |
| Inp | 811.10 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 811.10 | NIST | |
| Tboil | [400.00; 400.80] | K |
|
| Tboil | 400.00 ± 1.00 | K | NIST |
| Tboil | 400.80 | K | NIST |
| Tc | 616.31 | K | Joback Calculated Property |
| Tfus | 226.83 | K | Joback Calculated Property |
| Vc | 0.331 | m3/kmol | Joback 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 | [37.40; 43.00] | kJ/mol | [298.15; 338.00] |
|
| ΔvapH | 43.00 | kJ/mol | 298.15 | Vaporiz... |
| ΔvapH | 37.40 | kJ/mol | 338.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.52; 202.65] | kPa | [273.00; 426.88] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.60331e+01 | |||
| Coefficient B | -4.61365e+03 | |||
| Coefficient C | 3.43200e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 426.88 | |||
| Pvap | 0.52 | kPa | 273.00 | Calculated Property |
| Pvap | 1.37 | kPa | 290.10 | Calculated Property |
| Pvap | 3.26 | kPa | 307.20 | Calculated Property |
| Pvap | 7.07 | kPa | 324.29 | Calculated Property |
| Pvap | 14.20 | kPa | 341.39 | Calculated Property |
| Pvap | 26.72 | kPa | 358.49 | Calculated Property |
| Pvap | 47.49 | kPa | 375.59 | Calculated Property |
| Pvap | 80.31 | kPa | 392.68 | Calculated Property |
| Pvap | 130.04 | kPa | 409.78 | Calculated Property |
| Pvap | 202.65 | kPa | 426.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-3-fluoro-.
Sources
- Crippen Method
- Crippen Method
- Vaporization enthalpies of a series of the halogen-substituted fluorobenzenes
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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