Chemical Properties of Acetamide, N,N-diethyl- (CAS 685-91-6)

InChI

InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3

InChI Key

AJFDBNQQDYLMJN-UHFFFAOYSA-N

Formula

C6H13NO

SMILES

CCN(CC)C(C)=O

Molecular Weight¹

115.17

CAS

685-91-6

Other Names

• CH3CON(C2H5)2
• N,N-Diethylacetamide
• N,N-diethylethanamide

• 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).
• 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).
• 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).
• I_np : Non-polar retention indices.
• I : 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	0.3995		Relay (1.0) Calculated Property
PAff	925.40	kJ/mol	NIST
BasG	894.40	kJ/mol	NIST
ΔcH°liquid	-3883.60 ± 3.20	kJ/mol	NIST
ΔfG°	-18.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-287.20	kJ/mol	NIST
ΔfH°liquid	-335.40 ± 3.20	kJ/mol	NIST
ΔfusH°	53.70	kJ/mol	Enthalpies of vaporization of N,N-dialkyl monamides at 298.15K
ΔvapH°	48.20	kJ/mol	NIST
IE	8.60 ± 0.02	eV	NIST
log10WS	0.33		Relay (1.0) Calculated Property
logPoct/wat	0.875		Crippen Calculated Property
McVol	106.950	ml/mol	McGowan Calculated Property
Pc	3329.68	kPa	Joback Calculated Property
Inp	[966.00; 985.00]
Inp	985.00		NIST
Inp	966.00		NIST
I	1595.00		NIST
Tboil	457.20	K	NIST
Tc	620.88	K	Relay (1.0) Calculated Property
Tfus	249.12	K	Relay (1.0) Calculated Property
Vc	0.395	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.41; 266.15]	J/mol×K	[402.99; 578.97]
Cp,gas	205.41	J/mol×K	402.99	Joback Calculated Property
Cp,gas	216.70	J/mol×K	432.32	Joback Calculated Property
Cp,gas	227.51	J/mol×K	461.65	Joback Calculated Property
Cp,gas	237.84	J/mol×K	490.98	Joback Calculated Property
Cp,gas	247.72	J/mol×K	520.31	Joback Calculated Property
Cp,gas	257.15	J/mol×K	549.64	Joback Calculated Property
Cp,gas	266.15	J/mol×K	578.97	Joback Calculated Property
Pvap	[0.05; 0.81]	kPa	[293.20; 333.10]
Pvap	0.05	kPa	293.20	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.06	kPa	295.70	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.08	kPa	298.10	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.10	kPa	300.70	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.11	kPa	303.30	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.16	kPa	308.20	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.18	kPa	310.60	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.22	kPa	313.20	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.31	kPa	318.20	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.42	kPa	323.30	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.50	kPa	325.70	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.59	kPa	328.20	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.68	kPa	330.70	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
Pvap	0.81	kPa	333.10	Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[347.92; 483.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56855e+01
Coefficient B			-4.30011e+03
Coefficient C			-6.86550e+01
Temperature range, min.			347.92
Temperature range, max.			483.16
Pvap	1.33	kPa	347.92	Calculated Property
Pvap	2.93	kPa	362.95	Calculated Property
Pvap	5.95	kPa	377.97	Calculated Property
Pvap	11.33	kPa	393.00	Calculated Property
Pvap	20.38	kPa	408.03	Calculated Property
Pvap	34.88	kPa	423.05	Calculated Property
Pvap	57.14	kPa	438.08	Calculated Property
Pvap	90.06	kPa	453.11	Calculated Property
Pvap	137.17	kPa	468.13	Calculated Property
Pvap	202.65	kPa	483.16	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, N,N-diethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
• Enthalpies of vaporization of N,N-dialkyl monamides at 298.15K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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