- InChI
- InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
- InChI Key
- HFCFJYRLBAANKN-UHFFFAOYSA-N
- Formula
- C7H8N2O2
- SMILES
- Cc1c(N)cccc1[N+](=O)[O-]
- Molecular Weight1
- 152.15
- CAS
- 603-83-8
- Other Names
-
- 2-Amino-6-nitrotoluene
- 2-Methy-3-nitroaniline
- 2-Nitro-6-amino toluene
- 3-Nitro-o-toluidine
- Benzenamine, 2-methyl-3-nitro-
- o-Toluidine, 3-nitro-
- 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 |
|---|---|---|---|
| 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 | 578.20 | K | NIST |
| 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 | [439.52; 611.72] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51624e+01 | |||
| Coefficient B | -5.02238e+03 | |||
| Coefficient C | -1.01876e+02 | |||
| Temperature range, min. | 439.52 | |||
| Temperature range, max. | 611.72 | |||
| Pvap | 1.33 | kPa | 439.52 | Calculated Property |
| Pvap | 2.96 | kPa | 458.65 | Calculated Property |
| Pvap | 6.06 | kPa | 477.79 | Calculated Property |
| Pvap | 11.58 | kPa | 496.92 | Calculated Property |
| Pvap | 20.83 | kPa | 516.05 | Calculated Property |
| Pvap | 35.58 | kPa | 535.19 | Calculated Property |
| Pvap | 58.08 | kPa | 554.32 | Calculated Property |
| Pvap | 91.12 | kPa | 573.45 | Calculated Property |
| Pvap | 138.03 | kPa | 592.59 | Calculated Property |
| Pvap | 202.66 | kPa | 611.72 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-3-nitroaniline.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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