- InChI
- InChI=1S/C6H6N2O2/c9-8(10)7-6-4-2-1-3-5-6/h1-5,7H
- InChI Key
- VBEGHXKAFSLLGE-UHFFFAOYSA-N
- Formula
- C6H6N2O2
- SMILES
- O=[N+]([O-])Nc1ccccc1
- Molecular Weight1
- 138.12
- CAS
- 645-55-6
- 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).
- 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° | 236.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 112.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.14 | Crippen Calculated Property | |
| logPoct/wat | 1.290 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 4835.95 | kPa | Joback Calculated Property |
| Tboil | 565.37 | K | Joback Calculated Property |
| Tc | 817.61 | K | Joback Calculated Property |
| Tfus | 319.15 ± 2.00 | K | NIST |
| Vc | 0.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.54; 271.35] | J/mol×K | [565.37; 817.61] | 
|
| Cp,gas | 220.54 | J/mol×K | 565.37 | Joback Calculated Property |
| Cp,gas | 231.04 | J/mol×K | 607.41 | Joback Calculated Property |
| Cp,gas | 240.66 | J/mol×K | 649.45 | Joback Calculated Property |
| Cp,gas | 249.45 | J/mol×K | 691.49 | Joback Calculated Property |
| Cp,gas | 257.46 | J/mol×K | 733.53 | Joback Calculated Property |
| Cp,gas | 264.74 | J/mol×K | 775.57 | Joback Calculated Property |
| Cp,gas | 271.35 | J/mol×K | 817.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-nitroaniline.
Sources
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