- InChI
- InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
- InChI Key
- DPJCXCZTLWNFOH-UHFFFAOYSA-N
- Formula
- C6H6N2O2
- SMILES
- Nc1ccccc1[N+](=O)[O-]
- Molecular Weight1
- 138.13
- CAS
- 88-74-4
- Other Names
-
- 1-Nitro-2-aminobenzene
- 1-amino-2-nitrobenzene
- 2-Aminonitrobenzene
- 2-Nitro-benzeneamine
- 2-Nitrobenzenamine
- Aniline, o-nitro-
- Azoene Fast Orange GR Base
- Azoene Fast Orange GR Salt
- Azofix Orange GR Salt
- Azogene Fast Orange GR
- Azoic Diazo Component 6
- Benzenamine, 2-nitro-
- Brentamine Fast Orange GR Base
- Brentamine Fast Orange GR Salt
- C.I. 37025
- C.I. Azoic Diazo Component 6
- Devol Orange B
- Devol Orange Salt B
- Diazo Fast Orange GR
- Fast Orange Base GR
- Fast Orange Base JR
- Fast Orange GR Base
- Fast Orange GR Salt
- Fast Orange O Base
- Fast Orange O Salt
- Fast Orange Salt GR
- Fast Orange Salt JR
- Hiltonil Fast Orange GR Base
- Hiltosal Fast Orange GR Salt
- Hindasol Orange GR Salt
- NSC 9796
- Natasol Fast Orange GR Salt
- ONA
- Orange Base Ciba II
- Orange Base Irga II
- Orange GRS Salt
- Orange Salt Ciba II
- Orange Salt Irga II
- Orthonitroaniline
- o-Aminonitrobenzene
- o-Nitranilin
- o-Nitraniline
- o-nitroaniline
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-3192.30; -3192.00] | kJ/mol |
|
| ΔcH°solid | -3192.00 ± 0.40 | kJ/mol | NIST |
| ΔcH°solid | -3192.30 | kJ/mol | NIST |
| ΔfH°gas | 71.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [-26.30; -26.00] | kJ/mol |
|
| ΔfH°solid | -26.00 ± 0.40 | kJ/mol | NIST |
| ΔfH°solid | -26.30 | kJ/mol | NIST |
| ΔfusH° | 21.51 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 89.00 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 64.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.27; 8.66] | eV |
|
| IE | 8.27 ± 0.01 | eV | NIST |
| IE | 8.66 | eV | NIST |
| IE | 8.43 | eV | NIST |
| log10WS | [-1.96; -1.96] |
|
|
| log10WS | -1.96 | Aq. Solubility Prediction | |
| log10WS | -1.96 | Estimated Solubility | |
| logPoct/wat | 1.177 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Inp | [241.10; 1402.00] |
|
|
| Inp | 1402.00 | NIST | |
| Inp | 241.10 | NIST | |
| Inp | 241.10 | NIST | |
| Tboil | 557.20 | K | NIST |
| Tfus | [342.00; 344.60] | K |
|
| Tfus | 344.15 ± 0.50 | K | NIST |
| Tfus | 344.30 ± 0.20 | K | NIST |
| Tfus | 343.75 ± 0.30 | K | NIST |
| Tfus | 342.00 ± 1.50 | K | NIST |
| Tfus | 344.60 ± 0.15 | K | NIST |
| Tfus | 342.45 ± 0.30 | K | NIST |
| Tfus | 342.90 ± 0.10 | K | NIST |
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.03; 273.34] | J/mol×K | [592.71; 856.36] |
|
| Cp,gas | 226.03 | J/mol×K | 592.71 | Joback Calculated Property |
| Cp,gas | 235.82 | J/mol×K | 636.65 | Joback Calculated Property |
| Cp,gas | 244.79 | J/mol×K | 680.59 | Joback Calculated Property |
| Cp,gas | 252.98 | J/mol×K | 724.54 | Joback Calculated Property |
| Cp,gas | 260.43 | J/mol×K | 768.48 | Joback Calculated Property |
| Cp,gas | 267.21 | J/mol×K | 812.42 | Joback Calculated Property |
| Cp,gas | 273.34 | J/mol×K | 856.36 | Joback Calculated Property |
| Cp,solid | [164.40; 168.20] | J/mol×K | [297.90; 298.00] |
|
| Cp,solid | 168.20 | J/mol×K | 297.90 | NIST |
| Cp,solid | 164.40 | J/mol×K | 298.00 | NIST |
| ΔfusH | [16.11; 16.11] | kJ/mol | [342.50; 344.40] |
|
| ΔfusH | 16.11 | kJ/mol | 342.50 | NIST |
| ΔfusH | 16.11 | kJ/mol | 342.50 | NIST |
| ΔfusH | 16.11 | kJ/mol | 344.40 | NIST |
| ΔsubH | [79.90; 90.00] | kJ/mol | [223.00; 327.50] |
|
| ΔsubH | 90.00 ± 4.20 | kJ/mol | 223.00 | NIST |
| ΔsubH | 82.00 ± 2.00 | kJ/mol | 313.00 | NIST |
| ΔsubH | 82.00 ± 2.00 | kJ/mol | 313.00 | NIST |
| ΔsubH | 79.90 ± 1.70 | kJ/mol | 314.50 | NIST |
| ΔsubH | 87.20 ± 0.70 | kJ/mol | 327.50 | NIST |
| ΔvapH | [59.30; 64.80] | kJ/mol | [467.50; 488.00] |
|
| ΔvapH | 64.80 | kJ/mol | 467.50 | NIST |
| ΔvapH | 59.30 | kJ/mol | 488.00 | NIST |
| Psub | [3.64e-04; 8.82e-03] | kPa | [308.15; 338.15] |
|
| Psub | 3.64e-04 | kPa | 308.15 | Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range |
| Psub | 6.21e-04 | kPa | 313.15 | Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range |
| Psub | 1.09e-03 | kPa | 318.15 | Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range |
| Psub | 1.89e-03 | kPa | 323.15 | Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range |
| Psub | 3.23e-03 | kPa | 328.15 | Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range |
| Psub | 8.82e-03 | kPa | 338.15 | Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range |
| ΔfusS | 47.00 | J/mol×K | 342.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [423.96; 587.58] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.71477e+01 | |||
| Coefficient B | -6.49919e+03 | |||
| Coefficient C | -3.84840e+01 | |||
| Temperature range, min. | 423.96 | |||
| Temperature range, max. | 587.58 | |||
| Pvap | 1.33 | kPa | 423.96 | Calculated Property |
| Pvap | 2.85 | kPa | 442.14 | Calculated Property |
| Pvap | 5.70 | kPa | 460.32 | Calculated Property |
| Pvap | 10.78 | kPa | 478.50 | Calculated Property |
| Pvap | 19.36 | kPa | 496.68 | Calculated Property |
| Pvap | 33.27 | kPa | 514.86 | Calculated Property |
| Pvap | 54.94 | kPa | 533.04 | Calculated Property |
| Pvap | 87.55 | kPa | 551.22 | Calculated Property |
| Pvap | 135.13 | kPa | 569.40 | Calculated Property |
| Pvap | 202.67 | kPa | 587.58 | Calculated Property |
| Pvap | [0.01; 268.08] | kPa | [344.65; 600.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.36243e+02 | |||
| Coefficient B | -1.36758e+04 | |||
| Coefficient C | -1.74694e+01 | |||
| Coefficient D | 1.08034e-05 | |||
| Temperature range, min. | 344.65 | |||
| Temperature range, max. | 600.15 | |||
| Pvap | 0.01 | kPa | 344.65 | Calculated Property |
| Pvap | 0.09 | kPa | 373.04 | Calculated Property |
| Pvap | 0.44 | kPa | 401.43 | Calculated Property |
| Pvap | 1.64 | kPa | 429.82 | Calculated Property |
| Pvap | 5.07 | kPa | 458.21 | Calculated Property |
| Pvap | 13.52 | kPa | 486.59 | Calculated Property |
| Pvap | 32.15 | kPa | 514.98 | Calculated Property |
| Pvap | 69.75 | kPa | 543.37 | Calculated Property |
| Pvap | 140.75 | kPa | 571.76 | Calculated Property |
| Pvap | 268.08 | kPa | 600.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nitroaniline.
Mixtures
Sources
- KDB Vapor Pressure Data
- 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
- Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
- New method for determination of vaporization and sublimation enthalpy of aromatic compounds at 298.15 K using solution calorimetry technique and group-additivity scheme
- Solid-Liquid Phase Diagram of the Ternary System of p-Nitroaniline + o-Nitroaniline + Ethanol
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.