- InChI
- InChI=1S/C6H4ClFN2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
- InChI Key
- VRJKEIWZSOHDOH-UHFFFAOYSA-N
- Formula
- C6H4ClFN2O2
- SMILES
- Nc1cc(Cl)c(F)cc1[N+](=O)[O-]
- Molecular Weight1
- 190.56
- CAS
- 104222-34-6
- 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 | 0.5922 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.970 | Crippen Calculated Property | |
| McVol | 113.050 | ml/mol | McGowan Calculated Property |
| Pc | 4322.57 | kPa | Joback Calculated Property |
| Tboil | 553.98 | K | Relay (1.0) Calculated Property |
| Tc | 821.75 | K | Relay (1.0) Calculated Property |
| Tfus | 393.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.391 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.35; 288.59] | J/mol×K | [639.37; 894.41] | 
|
| Cp,gas | 250.35 | J/mol×K | 639.37 | Joback Calculated Property |
| Cp,gas | 258.23 | J/mol×K | 681.88 | Joback Calculated Property |
| Cp,gas | 265.47 | J/mol×K | 724.38 | Joback Calculated Property |
| Cp,gas | 272.10 | J/mol×K | 766.89 | Joback Calculated Property |
| Cp,gas | 278.14 | J/mol×K | 809.39 | Joback Calculated Property |
| Cp,gas | 283.63 | J/mol×K | 851.90 | Joback Calculated Property |
| Cp,gas | 288.59 | J/mol×K | 894.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-4-fluoro-2-nitroaniline.
Sources
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