- InChI
- InChI=1S/C6H3Cl2F/c7-4-2-1-3-5(9)6(4)8/h1-3H
- InChI Key
- NPXCSDPOOVOVDQ-UHFFFAOYSA-N
- Formula
- C6H3Cl2F
- SMILES
- Fc1cccc(Cl)c1Cl
- Molecular Weight1
- 164.99
- CAS
- 36556-50-0
- 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).
- 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° | -125.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.50 | kJ/mol | Joback Calculated Property |
| IE | 9.29 ± 0.02 | eV | NIST |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 3.132 | Crippen Calculated Property | |
| McVol | 97.890 | ml/mol | McGowan Calculated Property |
| Pc | 3848.31 | kPa | Joback Calculated Property |
| Tboil | 447.45 | K | Joback Calculated Property |
| Tc | 667.64 | K | Joback Calculated Property |
| Tfus | 269.27 | K | Joback Calculated Property |
| Vc | 0.380 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.45; 195.11] | J/mol×K | [447.45; 667.64] | 
|
| Cp,gas | 157.45 | J/mol×K | 447.45 | Joback Calculated Property |
| Cp,gas | 164.82 | J/mol×K | 484.15 | Joback Calculated Property |
| Cp,gas | 171.73 | J/mol×K | 520.85 | Joback Calculated Property |
| Cp,gas | 178.19 | J/mol×K | 557.55 | Joback Calculated Property |
| Cp,gas | 184.23 | J/mol×K | 594.25 | Joback Calculated Property |
| Cp,gas | 189.87 | J/mol×K | 630.94 | Joback Calculated Property |
| Cp,gas | 195.11 | J/mol×K | 667.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2-dichloro-3-fluoro-.
Sources
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