- InChI
- InChI=1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
- InChI Key
- RUBQQRMAWLSCCJ-UHFFFAOYSA-N
- Formula
- C6H3F2NO2
- SMILES
- O=[N+]([O-])c1ccc(F)c(F)c1
- Molecular Weight1
- 159.09
- CAS
- 369-34-6
- Other Names
-
- Benzene, 1,2-difluoro-4-nitro-
- 1,2-Difluoro-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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4758 | Relay (1.0) Calculated Property | |
| ΔfG° | -261.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.873 | Crippen Calculated Property | |
| McVol | 92.600 | ml/mol | McGowan Calculated Property |
| Pc | 4051.80 | kPa | Joback Calculated Property |
| Tboil | 466.52 | K | Relay (1.0) Calculated Property |
| Tc | 712.74 | K | Relay (1.0) Calculated Property |
| Tfus | 310.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.39; 237.80] | J/mol×K | [523.70; 753.60] | 
|
| Cp,gas | 195.39 | J/mol×K | 523.70 | Joback Calculated Property |
| Cp,gas | 203.84 | J/mol×K | 562.02 | Joback Calculated Property |
| Cp,gas | 211.70 | J/mol×K | 600.33 | Joback Calculated Property |
| Cp,gas | 219.01 | J/mol×K | 638.65 | Joback Calculated Property |
| Cp,gas | 225.78 | J/mol×K | 676.96 | Joback Calculated Property |
| Cp,gas | 232.03 | J/mol×K | 715.28 | Joback Calculated Property |
| Cp,gas | 237.80 | J/mol×K | 753.60 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 373.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 3,4-Difluoronitrobenzene.
Sources
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