- InChI
- InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
- InChI Key
- MXHTZQSKTCCMFG-UHFFFAOYSA-N
- Formula
- C21H21N
- SMILES
-
c1ccc(CN(Cc2ccccc2)Cc2ccccc2)c
c1 - Molecular Weight1
- 287.40
- CAS
- 620-40-6
- Other Names
-
- (N,N-dibenzylaminomethyl)benzene
- N,N,N-tribenzylamine
- tribenzylamine
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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.
- I : Polar retention indices.
- 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 | 0.5741 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-11557.00; -11406.00] | kJ/mol |
|
| ΔcH°solid | -11406.00 ± 11.00 | kJ/mol | NIST |
| ΔcH°solid | -11557.00 | kJ/mol | NIST |
| ΔfG° | 573.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 302.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [141.00; 240.00] | kJ/mol |
|
| ΔfH°solid | 141.00 ± 11.00 | kJ/mol | NIST |
| ΔfH°solid | 240.00 | kJ/mol | NIST |
| ΔfusH° | 35.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.889 | Crippen Calculated Property | |
| McVol | 245.450 | ml/mol | McGowan Calculated Property |
| Pc | 1987.66 | kPa | Joback Calculated Property |
| Inp | [2235.00; 2271.00] |
|
|
| Inp | 2271.00 | NIST | |
| Inp | 2235.00 | NIST | |
| Inp | 2271.00 | NIST | |
| Inp | 2235.00 | NIST | |
| Inp | 2271.00 | NIST | |
| I | [3035.00; 3035.00] |
|
|
| I | 3035.00 | NIST | |
| I | 3035.00 | NIST | |
| Tboil | 650.14 | K | Relay (1.0) Calculated Property |
| Tc | 924.27 | K | Relay (1.0) Calculated Property |
| Tfus | 329.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.891 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 92.40 | kJ/mol | 298.00 | Evaluation of the Vaporization Enthalpies and Liquid Vapor Pressures of (R)-Deprenyl, (S)-Benzphetamine, Alverine, and a Series of Aliphatic Tertiary Amines by Correlation Gas Chromatography at T/K = 298.15 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 503.20 | K | 1.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.71; 785.19] | 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 | -1.28607e+02 | |||
| Coefficient B | 1.88600e+00 | |||
| Coefficient C | -1.32480e-03 | |||
| Coefficient D | 3.52600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 294.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 388.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 469.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 539.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 599.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 650.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 693.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 729.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 759.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 785.19 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanamine, N,N-bis(phenylmethyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Evaluation of the Vaporization Enthalpies and Liquid Vapor Pressures of (R)-Deprenyl, (S)-Benzphetamine, Alverine, and a Series of Aliphatic Tertiary Amines by Correlation Gas Chromatography at T/K = 298.15
- Joback Method
- McGowan Method
- NIST Webbook
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