- InChI
- InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
- InChI Key
- ATGUVEKSASEFFO-UHFFFAOYSA-N
- Formula
- C12H12N2
- SMILES
- Nc1ccc(Nc2ccccc2)cc1
- Molecular Weight1
- 184.24
- CAS
- 101-54-2
- Other Names
-
- 1,4-Benzenediamine, N1-phenyl-
- 4-(Phenylamino)aniline
- 4-Aminodiphenylamine
- Acna Black DF Base
- Azosalt R
- C.I. 37240
- C.I. 76085
- C.I. Azoic Diazo Component 22
- C.I. Developer 15
- C.I. Oxidation Base 2
- Diphenyl Black
- Diphenylamine, 4-amino-
- Diphenylamine, p-amino-
- Fast Blue R Salt
- Luxan Black R
- N-(4-Aminophenyl)aniline
- N-4'-Bianiline
- N-Fenyl-p-fenylendiamin
- N-Phenyl-1,4-benzenediamine
- N-Phenyl-1,4-phenylenediamine
- N-Phenyl-p-aminoaniline
- N-Phenyl-p-phenylenediamine
- NCI-C02233
- NSC 3401
- Naphthoelan Navy Blue
- Oxy Acid Black Base
- Peltol BR
- Peltol BR II
- Semidin
- Semidine
- UBOB
- Variamine Blue RT
- Variamine Blue Salt RT
- p-(Phenylamino)aniline
- p-Aminodifenylamin
- p-Aminodiphenylamine
- p-Anilinoaniline
- p-Phenylenediamine, N-phenyl-
- p-Semidine
- 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).
- Pvap : Vapor 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 | 0.5987 | Relay (1.0) Calculated Property | |
| ΔfG° | 421.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 196.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.012 | Crippen Calculated Property | |
| McVol | 152.380 | ml/mol | McGowan Calculated Property |
| Pc | 3659.77 | kPa | Joback Calculated Property |
| Tboil | 627.00 | K | NIST |
| Tc | 935.91 | K | Relay (1.0) Calculated Property |
| Tfus | 339.00 | K | NIST |
| Vc | 0.538 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 428.00 | K | 0.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.64; 471.19] | 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 | -5.62500e+01 | |||
| Coefficient B | 1.06460e+00 | |||
| Coefficient C | -7.16360e-04 | |||
| Coefficient D | 1.79200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 184.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 238.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 285.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 326.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 361.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 391.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 417.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 438.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 456.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 471.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [478.62; 662.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56513e+01 | |||
| Coefficient B | -5.80754e+03 | |||
| Coefficient C | -1.00620e+02 | |||
| Temperature range, min. | 478.62 | |||
| Temperature range, max. | 662.29 | |||
| Pvap | 1.33 | kPa | 478.62 | Calculated Property |
| Pvap | 2.93 | kPa | 499.03 | Calculated Property |
| Pvap | 5.96 | kPa | 519.44 | Calculated Property |
| Pvap | 11.35 | kPa | 539.84 | Calculated Property |
| Pvap | 20.41 | kPa | 560.25 | Calculated Property |
| Pvap | 34.93 | kPa | 580.66 | Calculated Property |
| Pvap | 57.20 | kPa | 601.07 | Calculated Property |
| Pvap | 90.13 | kPa | 621.47 | Calculated Property |
| Pvap | 137.23 | kPa | 641.88 | Calculated Property |
| Pvap | 202.66 | kPa | 662.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenediamine, N-phenyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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