- InChI
- InChI=1S/C12H10N2O3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
- InChI Key
- ASAOLTVUTGZJST-UHFFFAOYSA-N
- Formula
- C12H10N2O3
- SMILES
-
Nc1ccc(Oc2ccc([N+](=O)[O-])cc2
)cc1 - Molecular Weight1
- 230.22
- CAS
- 6149-33-3
- Other Names
-
- 4-(4-nitrophenoxy)aniline
- 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 | 0.7356 | Relay (1.0) Calculated Property | |
| ΔfG° | 252.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 25.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.969 | Crippen Calculated Property | |
| McVol | 165.690 | ml/mol | McGowan Calculated Property |
| Pc | 3517.91 | kPa | Joback Calculated Property |
| Tboil | 646.17 | K | Relay (1.0) Calculated Property |
| Tc | 941.72 | K | Relay (1.0) Calculated Property |
| Tfus | 426.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.11; 504.17] | J/mol×K | [784.07; 1057.79] | 
|
| Cp,gas | 450.11 | J/mol×K | 784.07 | Joback Calculated Property |
| Cp,gas | 462.01 | J/mol×K | 829.69 | Joback Calculated Property |
| Cp,gas | 472.67 | J/mol×K | 875.31 | Joback Calculated Property |
| Cp,gas | 482.15 | J/mol×K | 920.93 | Joback Calculated Property |
| Cp,gas | 490.52 | J/mol×K | 966.55 | Joback Calculated Property |
| Cp,gas | 497.84 | J/mol×K | 1012.17 | Joback Calculated Property |
| Cp,gas | 504.17 | J/mol×K | 1057.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4-(4-nitrophenoxy)-.
Sources
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