- InChI
- InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2
- InChI Key
- RAUWPNXIALNKQM-UHFFFAOYSA-N
- Formula
- C6H7N3O2
- SMILES
- Nc1ccc([N+](=O)[O-])cc1N
- Molecular Weight1
- 153.14
- Other Names
-
- (2-amino-4-nitrophenyl)amine
- 1,2-diamino-4-nitrobenzene
- 2-amino-4-nitroaniline
- 4-nitro-1,2-phenylenediamine
- p-nitro-o-phenylenediamine
- 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 | 0.6694 | Relay (... Calculated Property | |
| ΔfG° | 261.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 76.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.28 | kJ/mol | Solubil... |
| ΔvapH° | 85.83 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -2.21 | Relay (... Calculated Property | |
| logPoct/wat | 0.759 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Pc | 5351.35 | kPa | Joback Calculated Property |
| Tboil | 584.81 | K | Relay (... Calculated Property |
| Tc | 868.41 | K | Relay (... Calculated Property |
| Tfus | 472.40 | K | Solubil... |
| Vc | 0.372 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.57; 315.86] | J/mol×K | [670.22; 940.43] | 
|
| Cp,gas | 271.57 | J/mol×K | 670.22 | Joback Calculated Property |
| Cp,gas | 280.82 | J/mol×K | 715.26 | Joback Calculated Property |
| Cp,gas | 289.27 | J/mol×K | 760.29 | Joback Calculated Property |
| Cp,gas | 296.95 | J/mol×K | 805.33 | Joback Calculated Property |
| Cp,gas | 303.92 | J/mol×K | 850.36 | Joback Calculated Property |
| Cp,gas | 310.21 | J/mol×K | 895.40 | Joback Calculated Property |
| Cp,gas | 315.86 | J/mol×K | 940.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-nitro-1,2-benzenediamine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubility determination and modelling of 4-nitro-1,2-phenylenediamine in eleven organic solvents from T = (283.15 to 318.15) K and thermodynamic properties of solutions
- Joback Method
- McGowan Method
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