- InChI
- InChI=1S/C12H10N2O3/c15-12-7-3-10(4-8-12)13-9-1-5-11(6-2-9)14(16)17/h1-8,13,15H
- InChI Key
- VFFBUUIATYUJSZ-UHFFFAOYSA-N
- Formula
- C12H10N2O3
- SMILES
-
O=[N+]([O-])c1ccc(Nc2ccc(O)cc2
)cc1 - Molecular Weight1
- 230.22
- CAS
- 16078-86-7
- Other Names
-
- 4'-hydroxy-4-nitrodiphenylamine
- 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 | 0.7760 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.044 | Crippen Calculated Property | |
| McVol | 165.690 | ml/mol | McGowan Calculated Property |
| Pc | 4167.71 | kPa | Joback Calculated Property |
| Tboil | 661.44 | K | Relay (1.0) Calculated Property |
| Tc | 1001.33 | K | Relay (1.0) Calculated Property |
| Tfus | 446.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.562 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.46; 522.07] | J/mol×K | [814.93; 1089.62] | 
|
| Cp,gas | 462.46 | J/mol×K | 814.93 | Joback Calculated Property |
| Cp,gas | 473.65 | J/mol×K | 860.71 | Joback Calculated Property |
| Cp,gas | 484.10 | J/mol×K | 906.49 | Joback Calculated Property |
| Cp,gas | 493.97 | J/mol×K | 952.28 | Joback Calculated Property |
| Cp,gas | 503.47 | J/mol×K | 998.06 | Joback Calculated Property |
| Cp,gas | 512.78 | J/mol×K | 1043.84 | Joback Calculated Property |
| Cp,gas | 522.07 | J/mol×K | 1089.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-(4-nitrophenyl)amino-.
Sources
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