- InChI
- InChI=1S/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
- InChI Key
- MOBRMRJUKNQBMY-UHFFFAOYSA-N
- Formula
- C7H6ClF
- SMILES
- Fc1ccccc1CCl
- Molecular Weight1
- 144.58
- Other Names
-
- o-Fluorobenzyl chloride
- 2-Fluorobenzyl chloride
- «alpha»-Chloro-o-fluorotoluene
- «alpha»-Chloro-2-fluorotoluene
- Toluene, «alpha»-chloro-o-fluoro-
- 1-(Chloromethyl)-2-fluorobenzene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -173.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.564 | Crippen Calculated Property | |
| McVol | 99.740 | ml/mol | McGowan Calculated Property |
| Inp | [983.70; 983.70] |
|
|
| Inp | 983.70 | NIST | |
| Inp | 983.70 | NIST | |
| Tboil | 446.69 | K | Relay (1.0) Calculated Property |
| Tc | 669.14 | K | Relay (1.0) Calculated Property |
| Tfus | 269.56 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [172.12; 222.90] | J/mol×K | [427.92; 636.83] |
|
| Cp,gas | 172.12 | J/mol×K | 427.92 | Joback Calculated Property |
| Cp,gas | 181.95 | J/mol×K | 462.74 | Joback Calculated Property |
| Cp,gas | 191.20 | J/mol×K | 497.56 | Joback Calculated Property |
| Cp,gas | 199.89 | J/mol×K | 532.38 | Joback Calculated Property |
| Cp,gas | 208.06 | J/mol×K | 567.20 | Joback Calculated Property |
| Cp,gas | 215.72 | J/mol×K | 602.01 | Joback Calculated Property |
| Cp,gas | 222.90 | J/mol×K | 636.83 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [359.00; 359.20] | K | [5.30; 5.30] |
|
| Tboilr | 359.00 | K | 5.30 | NIST |
| Tboilr | 359.20 | K | 5.30 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-(chloromethyl)-2-fluoro-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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