- InChI
- InChI=1S/C6HF4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H
- InChI Key
- FDLCUAUNAWWSBX-UHFFFAOYSA-N
- Formula
- C6HF4NO2
- SMILES
- O=[N+]([O-])c1c(F)cc(F)c(F)c1F
- Molecular Weight1
- 195.07
- CAS
- 314-41-0
- Other Names
-
- Benzene, 1,2,3,5-tetrafluoro-4-nitro-
- 1,2,3,5-tetrafluoro-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 | 0.5112 | Relay (1.0) Calculated Property | |
| ΔfG° | -670.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.151 | Crippen Calculated Property | |
| McVol | 96.140 | ml/mol | McGowan Calculated Property |
| Pc | 3497.14 | kPa | Joback Calculated Property |
| Tboil | 449.49 | K | Relay (1.0) Calculated Property |
| Tc | 691.10 | K | Relay (1.0) Calculated Property |
| Tfus | 297.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.19; 246.01] | J/mol×K | [532.20; 741.46] | 
|
| Cp,gas | 210.19 | J/mol×K | 532.20 | Joback Calculated Property |
| Cp,gas | 217.12 | J/mol×K | 567.08 | Joback Calculated Property |
| Cp,gas | 223.65 | J/mol×K | 601.95 | Joback Calculated Property |
| Cp,gas | 229.80 | J/mol×K | 636.83 | Joback Calculated Property |
| Cp,gas | 235.58 | J/mol×K | 671.71 | Joback Calculated Property |
| Cp,gas | 240.98 | J/mol×K | 706.59 | Joback Calculated Property |
| Cp,gas | 246.01 | J/mol×K | 741.46 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 351.50 ± 0.50 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2,3,4,6-Tetrafluoronitrobenzene.
Sources
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