Chemical Properties of N,N-diethyl-p-ethylaniline

InChI

InChI=1S/C12H19N/c1-4-11-7-9-12(10-8-11)13(5-2)6-3/h7-10H,4-6H2,1-3H3

InChI Key

CFWHSBCRIFAIEI-UHFFFAOYSA-N

Formula

C12H19N

SMILES

CCc1ccc(N(CC)CC)cc1

Molecular Weight¹

177.29

• 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.
• I_p : 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	0.5198		Relay (1.0) Calculated Property
ΔfG°	263.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-19.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.51	kJ/mol	Joback Calculated Property
ΔvapH°	65.19	kJ/mol	Relay (1.0) Calculated Property
IE	6.91	eV	Relay (1.0) Calculated Property
log10WS	-3.93		Relay (1.0) Calculated Property
logPoct/wat	3.095		Crippen Calculated Property
McVol	166.160	ml/mol	McGowan Calculated Property
Pc	2365.67	kPa	Joback Calculated Property
Inp	[1423.00; 1424.80]
Inp	1423.00		NIST
Inp	1424.80		NIST
Ip	[1791.40; 1792.20]
Ip	1791.40		NIST
Ip	1791.40		NIST
Ip	1792.20		NIST
Tboil	519.33	K	Relay (1.0) Calculated Property
Tc	724.21	K	Relay (1.0) Calculated Property
Tfus	250.90	K	Relay (1.0) Calculated Property
Vc	0.613	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.85; 554.88]	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			-3.83170e+01
Coefficient B			1.12936e+00
Coefficient C			-7.05760e-04
Coefficient D			1.69600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.85	J/mol×K	273.00	Calculated Property
Cp,gas	280.40	J/mol×K	353.78	Calculated Property
Cp,gas	333.10	J/mol×K	434.56	Calculated Property
Cp,gas	379.46	J/mol×K	515.33	Calculated Property
Cp,gas	420.04	J/mol×K	596.11	Calculated Property
Cp,gas	455.37	J/mol×K	676.89	Calculated Property
Cp,gas	485.98	J/mol×K	757.67	Calculated Property
Cp,gas	512.41	J/mol×K	838.44	Calculated Property
Cp,gas	535.20	J/mol×K	919.22	Calculated Property
Cp,gas	554.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N,N-diethyl-p-ethylaniline.

Sources

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

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