- 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
- 138.12
- CAS
- 88-74-4
- Other Names
-
- 1-Amino-2-Nitrobenzene
- 1-Nitro-2-aminobenzene
- 2-Aminonitrobenzene
- 2-Nitro-benzeneamine
- 2-Nitroaniline
- 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
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- 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).
- 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 | [-3192.30; -3192.00] | kJ/mol |
|
| ΔcH°solid | -3192.00 ± 0.40 | kJ/mol | NIST |
| ΔcH°solid | -3192.30 | kJ/mol | NIST |
| ΔfG° | 204.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 80.92 | kJ/mol | Joback 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° | 59.12 | kJ/mol | Joback 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. Sol... | |
| log10WS | -1.96 | Estimat... | |
| logPoct/wat | 1.177 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 5037.07 | kPa | Joback Calculated Property |
| Inp | [241.10; 1402.00] |
|
|
| Inp | 1402.00 | NIST | |
| Inp | 241.10 | NIST | |
| Inp | 241.10 | NIST | |
| Tboil | 557.20 | K | NIST |
| Tc | 856.36 | K | Joback Calculated Property |
| 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 |
| Vc | 0.374 | m3/kmol | Joback Calculated Property |
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 | Triacet... |
| Psub | 6.21e-04 | kPa | 313.15 | Triacet... |
| Psub | 1.09e-03 | kPa | 318.15 | Triacet... |
| Psub | 1.89e-03 | kPa | 323.15 | Triacet... |
| Psub | 3.23e-03 | kPa | 328.15 | Triacet... |
| Psub | 8.82e-03 | kPa | 338.15 | Triacet... |
| 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 Yaw...
|
| 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 Vap...
|
| 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 o-Nitroaniline.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
- 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.