- InChI
- InChI=1S/C21H21N/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
- InChI Key
- YXYUIABODWXVIK-UHFFFAOYSA-N
- Formula
- C21H21N
- SMILES
-
Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)c
c2)cc1 - Molecular Weight1
- 287.40
- CAS
- 1159-53-1
- Other Names
-
- 4-methyl-N,N-bis(4-methylphenyl)benzenamine
- tri(4-methylphenyl)amine
- tri-tolylamine
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.6937 | Relay (1.0) Calculated Property | |
| ΔfG° | 545.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 212.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.082 | Crippen Calculated Property | |
| McVol | 245.450 | ml/mol | McGowan Calculated Property |
| Pc | 1910.24 | kPa | Joback Calculated Property |
| Tboil | 679.66 | K | Relay (1.0) Calculated Property |
| Tc | 982.10 | K | Relay (1.0) Calculated Property |
| Tfus | 388.74 | K | Measurement and Prediction of Solubility of Four Arylamine Molecules in Benzene, Hexane, and Methanol |
| Vc | 0.894 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 19.95 | kJ/mol | 388.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.36; 776.07] | 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 | -8.57100e+01 | |||
| Coefficient B | 1.70756e+00 | |||
| Coefficient C | -1.12368e-03 | |||
| Coefficient D | 2.77900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 302.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 390.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 466.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 533.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 591.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 641.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 683.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 719.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 750.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 776.07 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N,N-di-p-tolyl-p-toluidine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Measurement and Prediction of Solubility of Four Arylamine Molecules in Benzene, Hexane, and Methanol
- Joback Method
- McGowan Method
- NIST Webbook
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