Chemical Properties of «alpha»-methyl-N-(1-phenylethyl)-benzenethanamine, N-methyl

InChI

InChI=1S/C18H23N/c1-15(14-17-10-6-4-7-11-17)19(3)16(2)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3

InChI Key

YMFGDVWZZYVKEP-UHFFFAOYSA-N

Formula

C18H23N

SMILES

CC(Cc1ccccc1)N(C)C(C)c1ccccc1

Molecular Weight¹

253.38

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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	0.4767		Relay (1.0) Calculated Property
ΔfH°gas	148.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.43	kJ/mol	Joback Calculated Property
ΔvapH°	91.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-2.40		Relay (1.0) Calculated Property
logPoct/wat	4.311		Crippen Calculated Property
McVol	226.940	ml/mol	McGowan Calculated Property
Pc	1940.65	kPa	Joback Calculated Property
Inp	[1847.00; 1855.00]
Inp	1847.00		NIST
Inp	1855.00		NIST
Inp	1847.00		NIST
Tboil	597.90	K	Relay (1.0) Calculated Property
Tc	831.01	K	Relay (1.0) Calculated Property
Tfus	303.82	K	Relay (1.0) Calculated Property
Vc	0.812	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.70; 750.02]	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			-9.53390e+01
Coefficient B			1.69176e+00
Coefficient C			-1.13680e-03
Coefficient D			2.90400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.70	J/mol×K	273.00	Calculated Property
Cp,gas	373.75	J/mol×K	353.78	Calculated Property
Cp,gas	448.98	J/mol×K	434.56	Calculated Property
Cp,gas	514.33	J/mol×K	515.33	Calculated Property
Cp,gas	570.69	J/mol×K	596.11	Calculated Property
Cp,gas	619.00	J/mol×K	676.89	Calculated Property
Cp,gas	660.17	J/mol×K	757.67	Calculated Property
Cp,gas	695.12	J/mol×K	838.44	Calculated Property
Cp,gas	724.76	J/mol×K	919.22	Calculated Property
Cp,gas	750.02	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-methyl-N-(1-phenylethyl)-benzenethanamine, N-methyl.

Sources

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

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