- InChI
- InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3
- InChI Key
- GDIIPKWHAQGCJF-UHFFFAOYSA-N
- Formula
- C7H8N2O2
- SMILES
- Cc1ccc(N)cc1[N+](=O)[O-]
- Molecular Weight1
- 152.15
- CAS
- 119-32-4
- Other Names
-
- 1-Amino-3-nitro-4-methylbenzene
- 2-Nitro-4-aminotoluene
- 3-Nitro-4-methylaniline
- 3-Nitro-4-toluidine
- 3-Nitro-p-toluidine
- 4-Amino-2-nitrotoluene
- 4-Methyl-3-nitroaniline
- 5-Nitro-4-toluidine
- Gl-Amin
- NSC 7731
- m-Nitro-p-toluidine
- p-Toluidine, 3-nitro-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔcH°solid | [-3831.30; -3828.90] | kJ/mol |
|
| ΔcH°solid | -3828.90 ± 0.50 | kJ/mol | NIST |
| ΔcH°solid | -3831.30 ± 0.50 | kJ/mol | NIST |
| ΔfG° | 203.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 48.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.01 | kJ/mol | Joback Calculated Property |
| log10WS | -2.23 | Crippen Calculated Property | |
| logPoct/wat | 1.485 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 4328.25 | kPa | Joback Calculated Property |
| Tboil | 620.57 | K | Joback Calculated Property |
| Tc | 879.01 | K | Joback Calculated Property |
| Tfus | 446.98 | K | Joback Calculated Property |
| Vc | 0.430 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.53; 321.82] | J/mol×K | [620.57; 879.01] |
|
| Cp,gas | 269.53 | J/mol×K | 620.57 | Joback Calculated Property |
| Cp,gas | 280.15 | J/mol×K | 663.64 | Joback Calculated Property |
| Cp,gas | 289.96 | J/mol×K | 706.72 | Joback Calculated Property |
| Cp,gas | 299.00 | J/mol×K | 749.79 | Joback Calculated Property |
| Cp,gas | 307.29 | J/mol×K | 792.87 | Joback Calculated Property |
| Cp,gas | 314.89 | J/mol×K | 835.94 | Joback Calculated Property |
| Cp,gas | 321.82 | J/mol×K | 879.01 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [397.52; 614.02] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.25107e+01 | |||
| Coefficient B | -3.79209e+03 | |||
| Coefficient C | -8.72810e+01 | |||
| Temperature range, min. | 397.52 | |||
| Temperature range, max. | 614.02 | |||
| Pvap | 1.33 | kPa | 397.52 | Calculated Property |
| Pvap | 3.21 | kPa | 421.58 | Calculated Property |
| Pvap | 6.88 | kPa | 445.63 | Calculated Property |
| Pvap | 13.39 | kPa | 469.69 | Calculated Property |
| Pvap | 24.08 | kPa | 493.74 | Calculated Property |
| Pvap | 40.55 | kPa | 517.80 | Calculated Property |
| Pvap | 64.63 | kPa | 541.85 | Calculated Property |
| Pvap | 98.29 | kPa | 565.91 | Calculated Property |
| Pvap | 143.60 | kPa | 589.96 | Calculated Property |
| Pvap | 202.66 | kPa | 614.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4-methyl-3-nitro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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