- InChI
- InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H
- InChI Key
- JTTMYKSFKOOQLP-UHFFFAOYSA-N
- Formula
- C12H11NO
- SMILES
- Oc1ccc(Nc2ccccc2)cc1
- Molecular Weight1
- 185.23
- Other Names
-
- p-Anilinophenol
- 4-Anilinophenol
- p-Hydroxydiphenylamine
- 4-Hydroxydiphenylamine
- p-Oxydiphenylamine
- Phenol, p-anilino-
- N-Phenyl-p-aminophenol
- p-(Phenylamino)phenol
- VTI 1
- p-Hydroxydifenylamin
- Diphenylamine, 4-hydroxy-
- Phenyl-p-aminophenol
- para-Hydroxydifenylamin
- 4-Phenylaminophenol
- NSC 1543
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6377 | Relay (1.0) Calculated Property | |
| ΔfG° | 209.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 34.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.136 | Crippen Calculated Property | |
| McVol | 148.270 | ml/mol | McGowan Calculated Property |
| Pc | 4183.90 | kPa | Joback Calculated Property |
| Tboil | 629.00 | K | Relay (1.0) Calculated Property |
| Tc | 933.54 | K | Relay (1.0) Calculated Property |
| Tfus | 393.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.512 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 488.70 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.61; 460.68] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.59600e+01 | |||
| Coefficient B | 1.21680e+00 | |||
| Coefficient C | -9.96360e-04 | |||
| Coefficient D | 3.26200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 178.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 281.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 321.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 354.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 382.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 405.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 426.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 444.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 460.68 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-(phenylamino)-.
Sources
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