- InChI
- InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
- InChI Key
- LOTKRQAVGJMPNV-UHFFFAOYSA-N
- Formula
- C6H3FN2O4
- SMILES
-
O=[N+]([O-])c1ccc(F)c([N+](=O)
[O-])c1 - Molecular Weight1
- 186.10
- CAS
- 70-34-8
- Other Names
-
- Dinitrofluorobenzene
- DFB
- DNFB
- Fluoro-2,4-dinitrobenzene
- Fluorodinitrobenzene
- FDNB
- 1-Fluoro-2,4-dinitrobenzene
- 2,4-Dinitro-1-fluorobenzene
- 2,4-Dinitrobenzenefluoride
- 2,4-Dinitrofluorobenzene
- 2,4-Dinitrophenyl fluoride
- Benzene, 2,4-dinitro-1-fluoro-
- 1,2,4-Fluorodinitrobenzene
- 2,4-DNFB
- NSC 33519
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -2800.10 | kJ/mol | NIST |
| ΔfG° | -30.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 1.642 | Crippen Calculated Property | |
| McVol | 108.250 | ml/mol | McGowan Calculated Property |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Tboil | 676.27 | K | Joback Calculated Property |
| Tc | 943.68 | K | Joback Calculated Property |
| Tfus | 496.65 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.31; 298.65] | J/mol×K | [676.27; 943.68] | 
|
| Cp,gas | 260.31 | J/mol×K | 676.27 | Joback Calculated Property |
| Cp,gas | 268.52 | J/mol×K | 720.84 | Joback Calculated Property |
| Cp,gas | 275.94 | J/mol×K | 765.41 | Joback Calculated Property |
| Cp,gas | 282.62 | J/mol×K | 809.97 | Joback Calculated Property |
| Cp,gas | 288.61 | J/mol×K | 854.54 | Joback Calculated Property |
| Cp,gas | 293.93 | J/mol×K | 899.11 | Joback Calculated Property |
| Cp,gas | 298.65 | J/mol×K | 943.68 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 451.20 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-2,4-dinitro-.
Sources
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