- InChI
- InChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
- InChI Key
- ODHXBMXNKOYIBV-UHFFFAOYSA-N
- Formula
- C18H15N
- SMILES
- c1ccc(N(c2ccccc2)c2ccccc2)cc1
- Molecular Weight1
- 245.32
- CAS
- 603-34-9
- Other Names
-
- N,N-Diphenylaniline
- N,N-diphenylbenzenamine
- triphenylamine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- 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 | 0.5636 | Relay (1.0) Calculated Property | |
| PAff | 908.90 | kJ/mol | NIST |
| BasG | 876.40 | kJ/mol | NIST |
| ΔcH°solid | -9462.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 548.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 327.00 ± 4.20 | kJ/mol | NIST |
| ΔfH°solid | 235.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 27.52 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [92.00; 92.00] | kJ/mol |
|
| ΔsubH° | 92.00 ± 3.00 | kJ/mol | NIST |
| ΔsubH° | 92.00 | kJ/mol | NIST |
| ΔvapH° | 86.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [6.75; 7.00] | eV |
|
| IE | 6.75 ± 0.01 | eV | NIST |
| IE | 6.80 ± 0.05 | eV | NIST |
| IE | 6.86 ± 0.03 | eV | NIST |
| IE | 7.00 ± 0.05 | eV | NIST |
| log10WS | -5.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.156 | Crippen Calculated Property | |
| McVol | 203.180 | ml/mol | McGowan Calculated Property |
| Pc | 2616.41 | kPa | Joback Calculated Property |
| Inp | [2055.00; 2055.00] |
|
|
| Inp | 2055.00 | NIST | |
| Inp | 2055.00 | NIST | |
| Tboil | 620.70 | K | NIST |
| Tc | 963.96 | K | Relay (1.0) Calculated Property |
| Tfus | [398.95; 400.70] | K |
|
| Tfus | 399.90 ± 1.00 | K | NIST |
| Tfus | 400.70 ± 0.60 | K | NIST |
| Tfus | 399.00 ± 1.50 | K | NIST |
| Tfus | 399.65 ± 0.60 | K | NIST |
| Tfus | 398.95 ± 0.50 | K | NIST |
| Tfus | 399.65 ± 0.60 | K | NIST |
| Tfus | 398.95 ± 0.50 | K | NIST |
| Vc | 0.732 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 297.50 | J/mol×K | 298.50 | NIST |
| ΔfusH | [24.89; 24.89] | kJ/mol | [400.20; 400.20] |
|
| ΔfusH | 24.89 | kJ/mol | 400.20 | NIST |
| ΔfusH | 24.89 | kJ/mol | 400.20 | NIST |
| ΔsubH | 87.90 ± 1.30 | kJ/mol | 347.50 | NIST |
| ΔvapH | [65.20; 90.20] | kJ/mol | [298.00; 556.50] |
|
| ΔvapH | 90.20 | kJ/mol | 298.00 | Study of the Anomalous Thermochemical Behavior of 1,2-Diazines by Correlation-Gas Chromatography |
| ΔvapH | 65.20 | kJ/mol | 556.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.07; 630.42] | 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 | -1.25880e+02 | |||
| Coefficient B | 1.60100e+00 | |||
| Coefficient C | -1.16160e-03 | |||
| Coefficient D | 3.16900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 231.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 309.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 376.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 434.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 482.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 523.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 558.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 586.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 610.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 630.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, N,N-diphenyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Study of the Anomalous Thermochemical Behavior of 1,2-Diazines by Correlation-Gas Chromatography
- Joback Method
- McGowan Method
- NIST Webbook
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