- InChI
- InChI=1S/C6F5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
- InChI Key
- INUOFQAJCYUOJR-UHFFFAOYSA-N
- Formula
- C6F5NO2
- SMILES
-
O=[N+]([O-])c1c(F)c(F)c(F)c(F)
c1F - Molecular Weight1
- 213.06
- CAS
- 880-78-4
- Other Names
-
- Nitropentafluorobenzene
- Pentafluoronitrobenzene
- 1,2,3,4,5-Pentafluoro-6-nitrobenzene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| EA | [1.45; 1.50] | eV |
|
| EA | 1.45 ± 0.11 | eV | NIST |
| EA | 1.50 ± 0.25 | eV | NIST |
| ΔfG° | -874.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -979.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.04 | kJ/mol | Joback Calculated Property |
| IE | 10.66 | eV | NIST |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 2.290 | Crippen Calculated Property | |
| McVol | 97.910 | ml/mol | McGowan Calculated Property |
| Pc | 3261.58 | kPa | Joback Calculated Property |
| S°liquid | 323.13 | J/mol×K | NIST |
| Tboil | 432.70 | K | NIST |
| Tc | 736.58 | K | Joback Calculated Property |
| Tfus | 392.96 | K | Joback Calculated Property |
| Ttriple | 250.50 ± 0.20 | K | NIST |
| Vc | 0.435 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.45; 250.35] | J/mol×K | [536.45; 736.58] |
|
| Cp,gas | 217.45 | J/mol×K | 536.45 | Joback Calculated Property |
| Cp,gas | 223.73 | J/mol×K | 569.80 | Joback Calculated Property |
| Cp,gas | 229.68 | J/mol×K | 603.16 | Joback Calculated Property |
| Cp,gas | 235.32 | J/mol×K | 636.51 | Joback Calculated Property |
| Cp,gas | 240.64 | J/mol×K | 669.87 | Joback Calculated Property |
| Cp,gas | 245.65 | J/mol×K | 703.22 | Joback Calculated Property |
| Cp,gas | 250.35 | J/mol×K | 736.58 | Joback Calculated Property |
| Cp,liquid | 272.96 | J/mol×K | 298.15 | NIST |
| ΔfusH | [11.81; 11.81] | kJ/mol | [250.50; 250.50] |
|
| ΔfusH | 11.81 | kJ/mol | 250.50 | NIST |
| ΔfusH | 11.81 | kJ/mol | 250.50 | NIST |
| ΔfusH | 11.81 | kJ/mol | 250.50 | NIST |
| ΔfusS | 47.13 | J/mol×K | 250.50 | NIST |
Similar Compounds
Find more compounds similar to Benzene, pentafluoronitro-.
Sources
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