- InChI
- InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
- InChI Key
- XJCVRTZCHMZPBD-UHFFFAOYSA-N
- Formula
- C6H6N2O2
- SMILES
- Nc1cccc([N+](=O)[O-])c1
- Molecular Weight1
- 138.12
- CAS
- 99-09-2
- Other Names
-
- 1-Amino-3-nitrobenzene
- 3-Aminonitrobenzene
- 3-Nitroaniline
- 3-Nitrobenzenamine
- 3-Nitrobenzeneamine
- 3-Nitrophenylamine
- Amarthol Fast Orange R Base
- Aniline, m-nitro-
- Azobase MNA
- Benzenamine, 3-nitro-
- C.I. 37030
- C.I. Azoic Diazo Component 7
- Daito Orange Base R
- Devol Orange R
- Diazo Fast Orange R
- Fast Orange Base R
- Fast Orange M Base
- Fast Orange MM Base
- Fast Orange R Base
- Fast Orange R Salt
- Hiltonil Fast Orange R Base
- MNA
- NSC 9574
- Naphtoelan Orange R Base
- Nitranilin
- Orange Base Irga I
- benzenamine, 3-nitro
- m-Aminonitrobenzene
- m-Nitraniline
- m-Nitroaminobenzene
- m-Nitrophenylamine
- 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).
- EA : Electron affinity (eV).
- 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 | [-3190.30; -3155.10] | kJ/mol |
|
| ΔcH°solid | -3184.32 ± 0.88 | kJ/mol | NIST |
| ΔcH°solid | -3180.00 ± 0.40 | kJ/mol | NIST |
| ΔcH°solid | -3190.30 | kJ/mol | NIST |
| ΔcH°solid | -3155.10 | kJ/mol | NIST |
| EA | 0.95 ± 0.10 | eV | NIST |
| ΔfG° | 204.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 62.50 ± 1.80 | kJ/mol | NIST |
| ΔfH°solid | [-63.47; -28.30] | kJ/mol |
|
| ΔfH°solid | -34.20 ± 1.20 | kJ/mol | NIST |
| ΔfH°solid | -38.00 ± 0.40 | kJ/mol | NIST |
| ΔfH°solid | -28.30 | kJ/mol | NIST |
| ΔfH°solid | -63.47 | kJ/mol | NIST |
| ΔfusH° | 21.51 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [96.50; 97.00] | kJ/mol |
|
| ΔsubH° | 97.00 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 96.50 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 59.12 | kJ/mol | Joback Calculated Property |
| IE | [8.31; 8.80] | eV |
|
| IE | 8.31 ± 0.02 | eV | NIST |
| IE | 8.80 | eV | NIST |
| IE | 8.60 | eV | NIST |
| log10WS | [-2.19; -2.19] |
|
|
| log10WS | -2.19 | Aq. Sol... | |
| log10WS | -2.19 | Estimat... | |
| logPoct/wat | 1.177 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 5037.07 | kPa | Joback Calculated Property |
| Inp | [254.17; 1446.00] |
|
|
| Inp | 1446.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 254.20 | NIST | |
| Inp | 254.17 | NIST | |
| Inp | 254.17 | NIST | |
| Tboil | 592.71 | K | Joback Calculated Property |
| Tc | 856.36 | K | Joback Calculated Property |
| Tfus | [382.65; 387.80] | K |
|
| Tfus | 386.82 | K | Aq. Sol... |
| Tfus | 387.65 ± 0.60 | K | NIST |
| Tfus | 384.95 ± 0.20 | K | NIST |
| Tfus | 387.00 ± 0.20 | K | NIST |
| Tfus | 382.65 ± 1.50 | K | NIST |
| Tfus | 385.00 ± 2.00 | K | NIST |
| Tfus | 385.00 ± 0.50 | K | NIST |
| Tfus | 385.00 ± 0.30 | K | NIST |
| Tfus | 387.80 ± 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 | [158.84; 186.60] | J/mol×K | [297.90; 323.00] |
|
| Cp,solid | 167.40 | J/mol×K | 297.90 | NIST |
| Cp,solid | 168.20 | J/mol×K | 298.00 | NIST |
| Cp,solid | 158.84 | J/mol×K | 298.15 | NIST |
| Cp,solid | 186.60 | J/mol×K | 323.00 | NIST |
| ΔfusH | [23.60; 23.69] | kJ/mol | [384.95; 387.20] |
|
| ΔfusH | 23.60 | kJ/mol | 384.95 | NIST |
| ΔfusH | 23.68 | kJ/mol | 385.00 | NIST |
| ΔfusH | 23.69 | kJ/mol | 387.00 | NIST |
| ΔfusH | 23.68 | kJ/mol | 387.00 | NIST |
| ΔfusH | 23.68 | kJ/mol | 387.20 | NIST |
| ΔsubH | [88.30; 97.60] | kJ/mol | [288.00; 352.00] |
|
| ΔsubH | 97.50 ± 4.20 | kJ/mol | 288.00 | NIST |
| ΔsubH | 97.60 | kJ/mol | 315.50 | NIST |
| ΔsubH | 88.30 ± 1.70 | kJ/mol | 336.50 | NIST |
| ΔsubH | 88.70 ± 2.50 | kJ/mol | 336.50 | NIST |
| ΔsubH | 89.00 ± 2.00 | kJ/mol | 342.00 | NIST |
| ΔsubH | 94.60 ± 0.30 | kJ/mol | 352.00 | NIST |
| ΔsubH | 93.60 ± 0.70 | kJ/mol | 352.00 | NIST |
| ΔvapH | 64.90 | kJ/mol | 510.50 | NIST |
| Psub | [1.15e-04; 0.07] | kPa | [313.15; 383.15] |
|
| Psub | 1.15e-04 | kPa | 313.15 | Triacet... |
| Psub | 3.08e-04 | kPa | 323.15 | Triacet... |
| Psub | 8.66e-04 | kPa | 333.15 | Triacet... |
| Psub | 2.51e-03 | kPa | 343.15 | Triacet... |
| Psub | 6.58e-03 | kPa | 353.15 | Triacet... |
| Psub | 0.02 | kPa | 363.15 | Triacet... |
| Psub | 0.07 | kPa | 383.15 | Triacet... |
| ΔfusS | [61.30; 61.50] | J/mol×K | [384.95; 385.00] |
|
| ΔfusS | 61.30 | J/mol×K | 384.95 | NIST |
| ΔfusS | 61.50 | J/mol×K | 385.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [440.26; 611.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.68977e+01 | |||
| Coefficient B | -6.54426e+03 | |||
| Coefficient C | -4.62660e+01 | |||
| Temperature range, min. | 440.26 | |||
| Temperature range, max. | 611.10 | |||
| Pvap | 1.33 | kPa | 440.26 | Calculated Property |
| Pvap | 2.86 | kPa | 459.24 | Calculated Property |
| Pvap | 5.74 | kPa | 478.22 | Calculated Property |
| Pvap | 10.86 | kPa | 497.21 | Calculated Property |
| Pvap | 19.52 | kPa | 516.19 | Calculated Property |
| Pvap | 33.52 | kPa | 535.17 | Calculated Property |
| Pvap | 55.28 | kPa | 554.15 | Calculated Property |
| Pvap | 87.94 | kPa | 573.14 | Calculated Property |
| Pvap | 135.45 | kPa | 592.12 | Calculated Property |
| Pvap | 202.66 | kPa | 611.10 | Calculated Property |
| Pvap | [0.10; 267.57] | kPa | [387.15; 628.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.26542e+00 | |||
| Coefficient B | -7.72469e+03 | |||
| Coefficient C | 2.68307e+00 | |||
| Coefficient D | -4.21964e-06 | |||
| Temperature range, min. | 387.15 | |||
| Temperature range, max. | 628.15 | |||
| Pvap | 0.10 | kPa | 387.15 | Calculated Property |
| Pvap | 0.39 | kPa | 413.93 | Calculated Property |
| Pvap | 1.29 | kPa | 440.71 | Calculated Property |
| Pvap | 3.72 | kPa | 467.48 | Calculated Property |
| Pvap | 9.48 | kPa | 494.26 | Calculated Property |
| Pvap | 21.74 | kPa | 521.04 | Calculated Property |
| Pvap | 45.49 | kPa | 547.82 | Calculated Property |
| Pvap | 87.87 | kPa | 574.59 | Calculated Property |
| Pvap | 158.20 | kPa | 601.37 | Calculated Property |
| Pvap | 267.57 | kPa | 628.15 | Calculated Property |
Similar Compounds
Find more compounds similar to m-Nitroaniline.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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