- InChI
- InChI=1S/C12H11N3O2/c13-9-1-3-10(4-2-9)14-11-5-7-12(8-6-11)15(16)17/h1-8,14H,13H2
- InChI Key
- XHVFCOOFJKCIAP-UHFFFAOYSA-N
- Formula
- C12H11N3O2
- SMILES
-
Nc1ccc(Nc2ccc([N+](=O)[O-])cc2
)cc1 - Molecular Weight1
- 229.23
- CAS
- 6149-34-4
- Other Names
-
- N-(4-nitrophenyl)-1,4-Benzenediamine
- 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 | 0.7466 | Relay (... Calculated Property | |
| ΔfG° | 447.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 151.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.23 | kJ/mol | Relay (... Calculated Property |
| IE | 7.40 | eV | Relay (... Calculated Property |
| log10WS | -3.96 | Relay (... Calculated Property | |
| logPoct/wat | 2.921 | Crippen Calculated Property | |
| McVol | 169.800 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback Calculated Property |
| Tboil | 663.68 | K | Relay (... Calculated Property |
| Tc | 1006.54 | K | Relay (... Calculated Property |
| Tfus | 447.10 | K | Relay (... Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.71; 527.60] | J/mol×K | [811.82; 1085.24] | 
|
| Cp,gas | 473.71 | J/mol×K | 811.82 | Joback Calculated Property |
| Cp,gas | 485.27 | J/mol×K | 857.39 | Joback Calculated Property |
| Cp,gas | 495.66 | J/mol×K | 902.96 | Joback Calculated Property |
| Cp,gas | 504.99 | J/mol×K | 948.53 | Joback Calculated Property |
| Cp,gas | 513.36 | J/mol×K | 994.10 | Joback Calculated Property |
| Cp,gas | 520.86 | J/mol×K | 1039.67 | Joback Calculated Property |
| Cp,gas | 527.60 | J/mol×K | 1085.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 4-(4-nitrophenyl)amino-.
Sources
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