Chemical Properties of N,N-Diethylaniline (CAS 91-66-7)

InChI

InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

InChI Key

GGSUCNLOZRCGPQ-UHFFFAOYSA-N

Formula

C10H15N

SMILES

CCN(CC)c1ccccc1

Molecular Weight¹

149.23

CAS

91-66-7

Other Names

• (Diethylamino)benzene
• Aniline, N,N-diethyl-
• Benzenamine, N,N-diethyl-
• DEA
• Diaethylanilin
• Diethylaniline
• Diethylphenylamine
• N,N-Diethylaminobenzene
• N,N-Diethylanilin
• N,N-Diethylbenzenamine
• N-Phenyldiethylamine
• NSC 7205
• Phenyldiethylamine
• UN 2432

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid 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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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	0.4292		Relay (1.0) Calculated Property
PAff	959.80	kJ/mol	NIST
BasG	927.90	kJ/mol	NIST
ΔcH°liquid	[-6080.60; -6062.60]	kJ/mol
ΔcH°liquid	-6080.60 ± 2.90	kJ/mol	NIST
ΔcH°liquid	-6062.60	kJ/mol	NIST
ΔfG°	256.51	kJ/mol	Joback Calculated Property
ΔfH°gas	[40.00; 62.10]	kJ/mol
ΔfH°gas	62.10 ± 7.60	kJ/mol	NIST
ΔfH°gas	40.00	kJ/mol	NIST
ΔfH°liquid	[-16.00; 1.80]	kJ/mol
ΔfH°liquid	1.80 ± 3.20	kJ/mol	NIST
ΔfH°liquid	-16.00	kJ/mol	NIST
ΔfusH°	18.72	kJ/mol	Joback Calculated Property
ΔvapH°	[56.00; 60.30]	kJ/mol
ΔvapH°	60.30 ± 6.90	kJ/mol	NIST
ΔvapH°	60.30	kJ/mol	NIST
ΔvapH°	56.50	kJ/mol	NIST
ΔvapH°	56.00	kJ/mol	NIST
IE	[6.95; 7.51]	eV
IE	6.98 ± 0.05	eV	NIST
IE	6.98	eV	NIST
IE	6.98 ± 0.05	eV	NIST
IE	6.95 ± 0.02	eV	NIST
IE	6.99	eV	NIST
IE	7.15	eV	NIST
IE	Outlier 7.51	eV	NIST
log10WS	[-3.03; -3.03]
log10WS	-3.03		Aq. Solubility Prediction
log10WS	-3.03		Estimated Solubility
logPoct/wat	2.533		Crippen Calculated Property
McVol	137.980	ml/mol	McGowan Calculated Property
Pc	2925.00	kPa	Joback Calculated Property
Inp	[1200.00; 1221.00]
Inp	1200.00		NIST
Inp	1221.00		NIST
Inp	1200.00		NIST
I	[1648.60; 1673.00]
I	1648.60		NIST
I	1659.00		NIST
I	1651.00		NIST
I	1656.00		NIST
I	1673.00		NIST
Tboil	[486.65; 490.70]	K
Tboil	489.50	K	NIST
Tboil	490.47 ± 0.30	K	NIST
Tboil	490.20 ± 0.30	K	NIST
Tboil	490.15 ± 0.60	K	NIST
Tboil	490.20 ± 0.40	K	NIST
Tboil	489.75 ± 0.50	K	NIST
Tboil	490.20 ± 0.30	K	NIST
Tboil	490.20 ± 0.50	K	NIST
Tboil	489.65 ± 0.30	K	NIST
Tboil	490.70 ± 1.50	K	NIST
Tboil	489.40 ± 1.00	K	NIST
Tboil	Outlier 486.65 ± 1.50	K	NIST
Tboil	Outlier 486.65 ± 5.00	K	NIST
Tc	695.85	K	Relay (1.0) Calculated Property
Tfus	[234.95; 251.85]	K
Tfus	234.95	K	Aq. Solubility Prediction
Tfus	251.85 ± 0.20	K	NIST
Tfus	251.85 ± 0.30	K	NIST
Tfus	238.75 ± 0.50	K	NIST
Tfus	235.10 ± 0.30	K	NIST
Vc	0.500	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.39; 371.44]	J/mol×K	[467.32; 669.26]
Cp,gas	288.39	J/mol×K	467.32	Joback Calculated Property
Cp,gas	304.41	J/mol×K	500.98	Joback Calculated Property
Cp,gas	319.51	J/mol×K	534.63	Joback Calculated Property
Cp,gas	333.72	J/mol×K	568.29	Joback Calculated Property
Cp,gas	347.09	J/mol×K	601.95	Joback Calculated Property
Cp,gas	359.65	J/mol×K	635.60	Joback Calculated Property
Cp,gas	371.44	J/mol×K	669.26	Joback Calculated Property
Cp,liquid	[274.50; 274.50]	J/mol×K	[302.00; 302.30]
Cp,liquid	274.50	J/mol×K	302.00	NIST
Cp,liquid	274.50	J/mol×K	302.30	NIST
η	[0.0010487; 0.0017030]	Pa×s	[303.15; 323.15]
η	0.0017030	Pa×s	303.15	Densities and Viscosities of Binary Mixtures of Propanoic Acid with N,N-Dimethylaniline and N,N-Diethylaniline at T = (303.15, 313.15, and 323.15) K
η	0.0014020	Pa×s	313.15	Densities and Viscosities of Binary Mixtures of Propanoic Acid with N,N-Dimethylaniline and N,N-Diethylaniline at T = (303.15, 313.15, and 323.15) K
η	0.0010487	Pa×s	323.15	Densities and Viscosities of Binary Mixtures of Propanoic Acid with N,N-Dimethylaniline and N,N-Diethylaniline at T = (303.15, 313.15, and 323.15) K
ΔvapH	[46.32; 54.50]	kJ/mol	[418.00; 488.20]
ΔvapH	54.50	kJ/mol	418.00	NIST
ΔvapH	46.32	kJ/mol	488.20	NIST
ρl	[913.80; 925.90]	kg/m3	[303.15; 318.15]
ρl	925.90	kg/m3	303.15	Volumetric and transport properties of binary liquid mixtures of sulfolane with aniline, N,N-dimethylaniline and N,N-diethylaniline at different temperatures and atmospheric pressure
ρl	925.80	kg/m3	303.15	Studies on the importance of chain length of alkanols on the thermodynamic and transport properties of liquid mixtures at various temperatures
ρl	921.90	kg/m3	308.15	Volumetric and transport properties of binary liquid mixtures of sulfolane with aniline, N,N-dimethylaniline and N,N-diethylaniline at different temperatures and atmospheric pressure
ρl	921.80	kg/m3	308.15	Studies on the importance of chain length of alkanols on the thermodynamic and transport properties of liquid mixtures at various temperatures
ρl	917.90	kg/m3	313.15	Volumetric and transport properties of binary liquid mixtures of sulfolane with aniline, N,N-dimethylaniline and N,N-diethylaniline at different temperatures and atmospheric pressure
ρl	917.90	kg/m3	313.15	Studies on the importance of chain length of alkanols on the thermodynamic and transport properties of liquid mixtures at various temperatures
ρl	913.80	kg/m3	318.15	Studies on the importance of chain length of alkanols on the thermodynamic and transport properties of liquid mixtures at various temperatures
csound,fluid	[1358.00; 1434.00]	m/s	[303.15; 323.15]
csound,fluid	1434.00	m/s	303.15	Thermodynamic and acoustic properties of binary mixtures of ethers. IV. Diisopropyl ether or oxolane with N,N-dimethylaniline or N,Ndiethylaniline at 303.15, 313.15 and 323.15 K
csound,fluid	1396.00	m/s	313.15	Thermodynamic and acoustic properties of binary mixtures of ethers. IV. Diisopropyl ether or oxolane with N,N-dimethylaniline or N,Ndiethylaniline at 303.15, 313.15 and 323.15 K
csound,fluid	1358.00	m/s	323.15	Thermodynamic and acoustic properties of binary mixtures of ethers. IV. Diisopropyl ether or oxolane with N,N-dimethylaniline or N,Ndiethylaniline at 303.15, 313.15 and 323.15 K

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.46e-05; 2871.05]	kPa	[235.15; 702.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.06064e+01
Coefficient B			-9.72540e+03
Coefficient C			-9.15681e+00
Coefficient D			2.48168e-06
Temperature range, min.			235.15
Temperature range, max.			702.00
Pvap	2.46e-05	kPa	235.15	Calculated Property
Pvap	7.47e-03	kPa	287.02	Calculated Property
Pvap	0.32	kPa	338.89	Calculated Property
Pvap	4.26	kPa	390.77	Calculated Property
Pvap	27.97	kPa	442.64	Calculated Property
Pvap	114.63	kPa	494.51	Calculated Property
Pvap	340.15	kPa	546.38	Calculated Property
Pvap	803.97	kPa	598.26	Calculated Property
Pvap	1613.12	kPa	650.13	Calculated Property
Pvap	2871.05	kPa	702.00	Calculated Property

Similar Compounds

Find more compounds similar to N,N-Diethylaniline.

Mixtures

• N,N-Diethylaniline + Thiophene, tetrahydro-, 1,1-dioxide
• N,N-Diethylaniline + 1-Octanol
• N,N-Diethylaniline + 1-Decanol
• Diisopropyl ether + N,N-Diethylaniline
• N,N-Diethylaniline + Tetrahydrofuran
• N,N-Diethylaniline + Propanoic acid

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Volumetric and transport properties of binary liquid mixtures of sulfolane with aniline, N,N-dimethylaniline and N,N-diethylaniline at different temperatures and atmospheric pressure
• Studies on the importance of chain length of alkanols on the thermodynamic and transport properties of liquid mixtures at various temperatures
• Thermodynamic and acoustic properties of binary mixtures of ethers. IV. Diisopropyl ether or oxolane with N,N-dimethylaniline or N,Ndiethylaniline at 303.15, 313.15 and 323.15 K
• Densities and Viscosities of Binary Mixtures of Propanoic Acid with N,N-Dimethylaniline and N,N-Diethylaniline at T = (303.15, 313.15, and 323.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.