- InChI
- InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
- InChI Key
- WMASLRCNNKMRFP-UHFFFAOYSA-N
- Formula
- C6H4FNO2
- SMILES
- O=[N+]([O-])c1cccc(F)c1
- Molecular Weight1
- 141.10
- CAS
- 402-67-5
- Other Names
-
- m-Fluoronitrobenzene
- m-Nitrofluorobenzene
- 1-Fluoro-3-nitrobenzene
- 3-Fluoronitrobenzene
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas 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).
- 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).
- Inp : Non-polar retention indices.
- 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°liquid | -2955.40 | kJ/mol | NIST |
| EA | [1.21; 1.24] | eV |
|
| EA | 1.24 ± 0.10 | eV | NIST |
| EA | 1.21 ± 0.09 | eV | NIST |
| EA | 1.24 ± 0.05 | eV | NIST |
| EA | 1.21 ± 0.05 | eV | NIST |
| ΔfG° | -56.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -148.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.66 | kJ/mol | Joback Calculated Property |
| IE | [9.88; 9.90] | eV |
|
| IE | 9.88 | eV | NIST |
| IE | 9.90 ± 0.10 | eV | NIST |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 1.734 | Crippen Calculated Property | |
| McVol | 90.830 | ml/mol | McGowan Calculated Property |
| Pc | 4379.97 | kPa | Joback Calculated Property |
| Inp | [1067.00; 1067.00] |
|
|
| Inp | 1067.00 | NIST | |
| Inp | 1067.00 | NIST | |
| Tboil | [473.50; 478.20] | K |
|
| Tboil | 478.20 | K | NIST |
| Tboil | 473.50 ± 0.50 | K | NIST |
| Tc | 760.95 | K | Joback Calculated Property |
| Tfus | 340.52 | K | Joback Calculated Property |
| Vc | 0.363 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.84; 233.94] | J/mol×K | [519.45; 760.95] |
|
| Cp,gas | 187.84 | J/mol×K | 519.45 | Joback Calculated Property |
| Cp,gas | 197.17 | J/mol×K | 559.70 | Joback Calculated Property |
| Cp,gas | 205.79 | J/mol×K | 599.95 | Joback Calculated Property |
| Cp,gas | 213.75 | J/mol×K | 640.20 | Joback Calculated Property |
| Cp,gas | 221.07 | J/mol×K | 680.45 | Joback Calculated Property |
| Cp,gas | 227.79 | J/mol×K | 720.70 | Joback Calculated Property |
| Cp,gas | 233.94 | J/mol×K | 760.95 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 359.20 | K | 2.50 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-3-nitro-.
Sources
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