Chemical Properties of Benzenepropanamine, N,N,.alpha.-trimethyl-.gamma.-phenyl-

InChI

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

InChI Key

NSHMKXVHJBBKTN-UHFFFAOYSA-N

Formula

C18H23N

SMILES

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

Molecular Weight¹

253.39

Other Names

• Benzenepropanamine, N,N,«alpha»-trimethyl-«gamma»-phenyl-
• Propylamine, N,N,1-trimethyl-3,3-diphenyl-
• N,N,«alpha»Trimethyl-«gamma»-phenylbenzenepropanamine
• N,N-Dimethyl-4,4-diphenyl-2-butanamine
• 1,1-Diphenylbutane, 3-dimethylamino
• 2-Butanamine, N,N-dimethyl, 4,4-diphenyl

• 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_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	0.4871		Relay (1.0) Calculated Property
ΔfG°	431.40	kJ/mol	Joback Calculated Property
ΔfH°gas	149.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.43	kJ/mol	Joback Calculated Property
ΔvapH°	82.97	kJ/mol	Relay (1.0) Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	-3.24		Relay (1.0) Calculated Property
logPoct/wat	4.159		Crippen Calculated Property
McVol	226.940	ml/mol	McGowan Calculated Property
Pc	1940.65	kPa	Joback Calculated Property
Inp	[1973.00; 1973.00]
Inp	1973.00		NIST
Inp	1973.00		NIST
Tboil	595.77	K	Relay (1.0) Calculated Property
Tc	838.26	K	Relay (1.0) Calculated Property
Tfus	285.76	K	Relay (1.0) Calculated Property
Vc	0.806	m3/kmol	Relay (1.0) Calculated Property

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 Benzenepropanamine, N,N,.alpha.-trimethyl-.gamma.-phenyl-.

Sources

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

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