- InChI
- InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
- InChI Key
- LLIOADBCFIXIEU-UHFFFAOYSA-N
- Formula
- C6H5FN2O2
- SMILES
- Nc1ccc(F)c([N+](=O)[O-])c1
- Molecular Weight1
- 156.11
- CAS
- 364-76-1
- Other Names
-
- Aniline, 4-fluoro-3-nitro-
- 3-Nitro-4-fluoroaniline
- 4-Fluoro-3-nitroaniline
- 4-Fluoro-3-nitrobenzenamine
- 4-F-3NA
- 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).
- 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 | -3083.00 | kJ/mol | NIST |
| ΔfG° | -0.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.09 | Crippen Calculated Property | |
| logPoct/wat | 1.316 | Crippen Calculated Property | |
| McVol | 100.810 | ml/mol | McGowan Calculated Property |
| Pc | 4634.00 | kPa | Joback Calculated Property |
| Tboil | 596.96 | K | Joback Calculated Property |
| Tc | 847.98 | K | Joback Calculated Property |
| Tfus | 436.30 | K | Joback Calculated Property |
| Vc | 0.393 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.87; 276.80] | J/mol×K | [596.96; 847.98] | 
|
| Cp,gas | 232.87 | J/mol×K | 596.96 | Joback Calculated Property |
| Cp,gas | 241.83 | J/mol×K | 638.80 | Joback Calculated Property |
| Cp,gas | 250.09 | J/mol×K | 680.63 | Joback Calculated Property |
| Cp,gas | 257.69 | J/mol×K | 722.47 | Joback Calculated Property |
| Cp,gas | 264.65 | J/mol×K | 764.31 | Joback Calculated Property |
| Cp,gas | 271.01 | J/mol×K | 806.14 | Joback Calculated Property |
| Cp,gas | 276.80 | J/mol×K | 847.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4-fluoro-3-nitro-.
Sources
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