- InChI
- InChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
- InChI Key
- DPHCXXYPSYMICK-UHFFFAOYSA-N
- Formula
- C6H3ClFNO2
- SMILES
- O=[N+]([O-])c1ccc(F)c(Cl)c1
- Molecular Weight1
- 175.54
- CAS
- 350-30-1
- Other Names
-
- Benzene, 2-chloro-1-fluoro-4-nitro-
- 2-Chloro-1-fluoro-4-nitrobenzene
- 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 | 0.4787 | Relay (1.0) Calculated Property | |
| ΔfG° | -78.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -143.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.387 | Crippen Calculated Property | |
| McVol | 103.070 | ml/mol | McGowan Calculated Property |
| Pc | 4093.38 | kPa | Joback Calculated Property |
| Tboil | 501.19 | K | Relay (1.0) Calculated Property |
| Tc | 761.28 | K | Relay (1.0) Calculated Property |
| Tfus | 322.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.363 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.13; 247.25] | J/mol×K | [561.86; 808.99] | 
|
| Cp,gas | 207.13 | J/mol×K | 561.86 | Joback Calculated Property |
| Cp,gas | 215.31 | J/mol×K | 603.05 | Joback Calculated Property |
| Cp,gas | 222.86 | J/mol×K | 644.24 | Joback Calculated Property |
| Cp,gas | 229.79 | J/mol×K | 685.43 | Joback Calculated Property |
| Cp,gas | 236.15 | J/mol×K | 726.62 | Joback Calculated Property |
| Cp,gas | 241.96 | J/mol×K | 767.81 | Joback Calculated Property |
| Cp,gas | 247.25 | J/mol×K | 808.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-4-fluoronitrobenzene.
Sources
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