- InChI
- InChI=1S/C6H3Cl2F/c7-4-2-1-3-5(8)6(4)9/h1-3H
- InChI Key
- JORVCRLRRRRLFI-UHFFFAOYSA-N
- Formula
- C6H3Cl2F
- SMILES
- Fc1c(Cl)cccc1Cl
- Molecular Weight1
- 164.99
- CAS
- 2268-05-5
- Other Names
-
- 2,6-Dichlorofluorobenzene
- Benzene,1,3-dichloro-2-fluoro-
- 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).
- 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 | 0.3218 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -145.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 ± 0.02 | eV | NIST |
| log10WS | -3.09 | Relay (1.0) 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 | 441.70 | K | NIST |
| Tc | 663.42 | K | Relay (1.0) Calculated Property |
| Tfus | 276.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.355 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.62; 227.88] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.40000e+01 | |||
| Coefficient B | 4.01300e-01 | |||
| Coefficient C | -2.56920e-04 | |||
| Coefficient D | 5.95000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 115.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 136.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 154.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 170.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 184.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 196.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 206.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 214.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 222.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 227.88 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dichloro-2-fluorobenzene.
Sources
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