Chemical Properties of Benzenemethanamine, N-ethyl-N-phenyl- (CAS 92-59-1)

InChI

InChI=1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3

InChI Key

HSZCJVZRHXPCIA-UHFFFAOYSA-N

Formula

C15H17N

SMILES

CCN(Cc1ccccc1)c1ccccc1

Molecular Weight¹

211.30

CAS

92-59-1

Other Names

• Benzylamine, N-ethyl-N-phenyl-
• Benzylethylphenylamine
• Ethylbenzylaniline
• N-Benzyl-N-ethylaniline
• N-Ethyl-N-benzylaniline
• N-Ethyl-N-phenylbenzylamine
• N,N-Benzylethylaniline
• Phenylethylbenzylamine
• UN 2274
• NSC 1805

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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.
• 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	0.5121		Relay (1.0) Calculated Property
ΔfG°	411.02	kJ/mol	Joback Calculated Property
ΔfH°gas	184.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.71	kJ/mol	Joback Calculated Property
ΔvapH°	77.24	kJ/mol	Relay (1.0) Calculated Property
IE	7.36	eV	Relay (1.0) Calculated Property
log10WS	-4.02		Relay (1.0) Calculated Property
logPoct/wat	3.713		Crippen Calculated Property
McVol	184.670	ml/mol	McGowan Calculated Property
Pc	2505.01	kPa	Joback Calculated Property
Inp	[1727.80; 1727.80]
Inp	1727.80		NIST
Inp	1727.80		NIST
Tboil	586.54	K	Relay (1.0) Calculated Property
Tc	825.97	K	Relay (1.0) Calculated Property
Tfus	308.00 ± 1.00	K	NIST
Vc	0.671	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[436.70; 459.10]	K	[0.80; 2.90]
Tboilr	436.70	K	0.80	NIST
Tboilr	458.70	K	2.90	NIST
Tboilr	459.10 ± 0.50	K	2.90	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.68; 594.17]	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			-8.92480e+01
Coefficient B			1.39492e+00
Coefficient C			-9.67200e-04
Coefficient D			2.55700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.68	J/mol×K	273.00	Calculated Property
Cp,gas	294.51	J/mol×K	353.78	Calculated Property
Cp,gas	355.26	J/mol×K	434.56	Calculated Property
Cp,gas	407.74	J/mol×K	515.33	Calculated Property
Cp,gas	452.75	J/mol×K	596.11	Calculated Property
Cp,gas	491.11	J/mol×K	676.89	Calculated Property
Cp,gas	523.62	J/mol×K	757.67	Calculated Property
Cp,gas	551.10	J/mol×K	838.44	Calculated Property
Cp,gas	574.34	J/mol×K	919.22	Calculated Property
Cp,gas	594.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanamine, N-ethyl-N-phenyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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