- InChI
- InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2
- InChI Key
- HVHNMNGARPCGGD-UHFFFAOYSA-N
- Formula
- C6H7N3O2
- SMILES
- Nc1ccc(N)c([N+](=O)[O-])c1
- Molecular Weight1
- 153.14
- CAS
- 5307-14-2
- Other Names
-
- 1,4-Diamino-2-nitrobenzene
- 2,5-Diaminonitrobenzene
- 2-N-p-PDA
- 2-NPPD
- 2-Nitro-1,4-diaminobenzene
- 2-Nitro-1,4-phenylenediamine
- 2-Nitrol-p-phenylenediamine
- 2-nitro-1,4-benzenediamine
- 2-nitro-4-aminoaniline
- 2-nitro-p-phenylenediamine
- 2-nitro-para-phenylenediamine
- 2-nitrobenzene-1,4-diamine
- 2NDB
- 4-Amino-2-nitroaniline
- C.I. 76070
- C.I. Oxidation Base 22
- Durafur Brown
- Durafur Brown 2R
- Dye GS
- Fouramine 2R
- Fourrine 36
- Fourrine Brown 2R
- NCI-C02222
- NSC 5377
- Nitro-p-phenylenediamine
- Oxidation base 22
- Ursol Brown RR
- Zoba Brown RR
- o-Nitro-p-phenylenediamine
- p-Phenylenediamine, 2-nitro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 84.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.759 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Tboil | 591.21 | K | Relay (1.0) Calculated Property |
| Tfus | 411.35 | K | Solubility of 2-nitro-p-phenylenediamine in nine pure solvents and mixture of (methanol + N-methyl-2-pyrrolidone) from T = (283.15 to 318.15) K: Determination and modelling |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.53; 322.44] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.06000e+01 | |||
| Coefficient B | 5.99060e-01 | |||
| Coefficient C | -3.64920e-04 | |||
| Coefficient D | 7.77000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 208.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 233.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 254.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 273.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 288.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 302.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 313.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 322.44 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenediamine, 2-nitro-.
Mixtures
- 1,4-Benzenediamine, 2-nitro- + Methyl Alcohol
- Ethanol + 1,4-Benzenediamine, 2-nitro-
- 1-Propanol + 1,4-Benzenediamine, 2-nitro-
- Acetonitrile + 1,4-Benzenediamine, 2-nitro-
- 1,4-Benzenediamine, 2-nitro- + Ethyl Acetate
- 2-Pyrrolidinone, 1-methyl- + 1,4-Benzenediamine, 2-nitro-
- Toluene + 1,4-Benzenediamine, 2-nitro-
- 1,4-Benzenediamine, 2-nitro- + 1,4-Dioxane
- 2-Propanol + 1,4-Benzenediamine, 2-nitro-
- 2-Pyrrolidinone, 1-methyl- + 1,4-Benzenediamine, 2-nitro- + Methyl Alcohol
- 2-Propanol + 1,4-Benzenediamine, 2-nitro- + Ethyl Acetate
- 2-Pyrrolidinone, 1-methyl- + 1,4-Benzenediamine, 2-nitro- + 4-nitro-1,2-benzenediamine
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solubility of 2-nitro-p-phenylenediamine in nine pure solvents and mixture of (methanol + N-methyl-2-pyrrolidone) from T = (283.15 to 318.15) K: Determination and modelling
- Experiment and Application of the Solid-Liquid Phase Equilibrium for Ternary 2-Nitro-p-phenylenediamine + Ethyl Acetate + Isopropanol and 2-Nitro-p-phenylenediamine + 4-Nitro-o-phenylenediamine + N-Methyl-2-pyrrolidone systems
- Joback Method
- McGowan Method
- NIST Webbook
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