Chemical Properties of Benzenemethanamine, N,N-bis(phenylmethyl)- (CAS 620-40-6)

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)cc1

Molecular Weight¹

287.40

CAS

620-40-6

Other Names

• (N,N-dibenzylaminomethyl)benzene
• N,N,N-tribenzylamine
• tribenzylamine

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

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
Ip	[3035.00; 3035.00]
Ip	3035.00		NIST
Ip	3035.00		NIST
Tboil	650.14	K	Relay (1.0) Calculated Property
Tc	924.27	K	Relay (1.0) Calculated Property
Tfus	365.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.891	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

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

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[364.15; 658.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			6.84412e-02
Coefficient B			-9.53000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			364.15
Temperature range, max.			658.15
γ	0.03	N/m	364.15	Calculated Property
γ	0.03	N/m	396.82	Calculated Property
γ	0.03	N/m	429.48	Calculated Property
γ	0.02	N/m	462.15	Calculated Property
γ	0.02	N/m	494.82	Calculated Property
γ	0.02	N/m	527.48	Calculated Property
γ	0.02	N/m	560.15	Calculated Property
γ	0.01	N/m	592.82	Calculated Property
γ	0.01	N/m	625.48	Calculated Property
γ	0.01	N/m	658.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanamine, N,N-bis(phenylmethyl)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• 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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