- InChI
- InChI=1S/C6H2F2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
- InChI Key
- VILFTWLXLYIEMV-UHFFFAOYSA-N
- Formula
- C6H2F2N2O4
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c(F)cc1F - Molecular Weight1
- 204.09
- CAS
- 327-92-4
- Other Names
-
- 1,3-Difluoro-4,6-dinitrobenzene
- 1,5-Difluoro-2,4-dinitrobenzene
- 4,6-Difluoro-1,3-dinitrobenzene
- 2,4-Dinitro-1,5-difluorobenzene
- Benzene, 1,3-difluoro-4,6-dinitro-
- 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 | 0.6207 | Relay (1.0) Calculated Property | |
| ΔfG° | -235.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.781 | Crippen Calculated Property | |
| McVol | 110.020 | ml/mol | McGowan Calculated Property |
| Pc | 4036.37 | kPa | Joback Calculated Property |
| Tboil | 504.07 | K | Relay (1.0) Calculated Property |
| Tc | 782.30 | K | Relay (1.0) Calculated Property |
| Tfus | 380.78 | 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 | [266.43; 302.14] | J/mol×K | [680.52; 935.78] | 
|
| Cp,gas | 266.43 | J/mol×K | 680.52 | Joback Calculated Property |
| Cp,gas | 273.99 | J/mol×K | 723.06 | Joback Calculated Property |
| Cp,gas | 280.87 | J/mol×K | 765.61 | Joback Calculated Property |
| Cp,gas | 287.09 | J/mol×K | 808.15 | Joback Calculated Property |
| Cp,gas | 292.69 | J/mol×K | 850.69 | Joback Calculated Property |
| Cp,gas | 297.70 | J/mol×K | 893.23 | Joback Calculated Property |
| Cp,gas | 302.14 | J/mol×K | 935.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,5-difluoro-2,4-dinitro-.
Sources
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