- InChI
- InChI=1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
- InChI Key
- KFBOUJZFFJDYTA-UHFFFAOYSA-N
- Formula
- C7H8N2O2
- SMILES
- CNc1ccccc1[N+](=O)[O-]
- Molecular Weight1
- 152.15
- CAS
- 612-28-2
- Other Names
-
- 2-Nitro-N-methylaniline
- Aniline, N-methyl-o-nitro-
- N-Methyl-2-nitroaniline
- N-Methyl-o-nitroaniline
- o-(Methylamino)nitrobenzene
- o-Nitro-N-methyl aniline
- 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).
- 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).
- 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° | 235.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 79.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.14 | kJ/mol | Joback Calculated Property |
| IE | 8.02 | eV | NIST |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 1.636 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 4167.71 | kPa | Joback Calculated Property |
| Tboil | 593.23 | K | Joback Calculated Property |
| Tc | 841.00 | K | Joback Calculated Property |
| Tfus | 403.86 | K | Joback Calculated Property |
| Vc | 0.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.79; 319.22] | J/mol×K | [593.23; 841.00] | 
|
| Cp,gas | 263.79 | J/mol×K | 593.23 | Joback Calculated Property |
| Cp,gas | 275.04 | J/mol×K | 634.53 | Joback Calculated Property |
| Cp,gas | 285.42 | J/mol×K | 675.82 | Joback Calculated Property |
| Cp,gas | 294.99 | J/mol×K | 717.12 | Joback Calculated Property |
| Cp,gas | 303.78 | J/mol×K | 758.41 | Joback Calculated Property |
| Cp,gas | 311.84 | J/mol×K | 799.71 | Joback Calculated Property |
| Cp,gas | 319.22 | J/mol×K | 841.00 | 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, N-methyl-2-nitro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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