- InChI
- InChI=1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
- InChI Key
- XBDXMDVEZLOGMC-UHFFFAOYSA-N
- Formula
- C7H6ClF
- SMILES
- Fc1cccc(CCl)c1
- Molecular Weight1
- 144.57
- CAS
- 456-42-8
- Other Names
-
- Toluene, «alpha»-chloro-m-fluoro-
- «alpha»-Chloro-m-fluorotoluene
- «alpha»-Chloro-3-fluorotoluene
- m-Fluorobenzyl chloride
- 1-(Chloromethyl)-3-fluorobenzene
- 3-Fluorobenzyl chloride
- 3-Fluorophenylmethyl chloride
- «alpha»-chloro-p-fluorotoluene
- 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).
- 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 | 0.3338 | Relay (1.0) Calculated Property | |
| ΔfG° | -95.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.564 | Crippen Calculated Property | |
| McVol | 99.740 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback Calculated Property |
| Inp | [987.10; 1000.00] |
|
|
| Inp | 987.10 | NIST | |
| Inp | 987.10 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 987.10 | NIST | |
| Tboil | 436.45 | K | Relay (1.0) Calculated Property |
| Tc | 668.03 | K | Relay (1.0) Calculated Property |
| Tfus | 254.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
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 |
Similar Compounds
Find more compounds similar to Benzene, 1-(chloromethyl)-3-fluoro-.
Sources
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