- InChI
- InChI=1S/C7H8N2O2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,8H2,1H3
- InChI Key
- XPAYEWBTLKOEDA-UHFFFAOYSA-N
- Formula
- C7H8N2O2
- SMILES
- Cc1cc(N)ccc1[N+](=O)[O-]
- Molecular Weight1
- 152.15
- CAS
- 611-05-2
- Other Names
-
- 3-Methyl-4-nitroaniline
- 4-nitro-m-toluidine
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5950 | Relay (1.0) Calculated Property | |
| ΔfG° | 203.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 41.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) 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 | 568.46 | K | Relay (1.0) Calculated Property |
| Tc | 808.55 | K | Relay (1.0) Calculated Property |
| Tfus | 346.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) 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 |
Similar Compounds
Find more compounds similar to Benzenamine, 3-methyl-4-nitro-.
Sources
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