Chemical Properties of Propanamide, N,N-dimethyl- (CAS 758-96-3)

InChI

InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3

InChI Key

MBHINSULENHCMF-UHFFFAOYSA-N

Formula

C5H11NO

SMILES

CCC(=O)N(C)C

Molecular Weight¹

101.15

CAS

758-96-3

Other Names

• Dimethylamide of propionic acid
• N,N-dimethylpropanamide
• N,N-dimethylpropionamide
• Propionamide, N,N-dimethyl-
• Propionic acid dimethylamide

• ω : Acentric Factor.
• 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).
• 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).
• 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).
• ρ_l : Liquid Density (kg/m³).
• 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	0.3847		Relay (1.0) Calculated Property
BasG	896.00 ± 8.00	kJ/mol	NIST
ΔcH°liquid	-3236.60 ± 0.92	kJ/mol	NIST
ΔfG°	-26.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-250.20	kJ/mol	NIST
ΔfusH°	13.33	kJ/mol	Joback Calculated Property
ΔvapH°	52.89	kJ/mol	NIST
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	1.24		Relay (1.0) Calculated Property
logPoct/wat	0.485		Crippen Calculated Property
McVol	92.860	ml/mol	McGowan Calculated Property
Pc	3731.66	kPa	Joback Calculated Property
Inp	[854.00; 878.00]
Inp	854.00		NIST
Inp	878.00		NIST
Inp	854.00		NIST
Inp	878.00		NIST
I	[1454.00; 1454.00]
I	1454.00		NIST
I	1454.00		NIST
Tboil	447.70	K	NIST
Tc	599.42	K	Relay (1.0) Calculated Property
Tfus	237.41	K	Relay (1.0) Calculated Property
Vc	0.369	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	209.00	J/mol×K	298.15	NIST
ΔvapH	53.50	kJ/mol	375.00	NIST
ρl	[861.99; 942.45]	kg/m3	[273.15; 363.15]
ρl	942.45	kg/m3	273.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	938.02	kg/m3	278.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	933.60	kg/m3	283.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	929.18	kg/m3	288.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	924.75	kg/m3	293.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	920.32	kg/m3	298.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	921.16	kg/m3	298.15	Solvation of N-methyl-2-pyrrolidone and N,N-dimethylpropanamide in cyclohexane, heptane, n-alkan-1-ols(C1-C4) and water at 298.15K
ρl	915.93	kg/m3	303.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	907.04	kg/m3	313.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	898.13	kg/m3	323.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	889.17	kg/m3	333.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	880.17	kg/m3	343.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	871.11	kg/m3	353.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
ρl	861.99	kg/m3	363.15	Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.98; 304.33]	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			-4.98900e+00
Coefficient B			5.74760e-01
Coefficient C			-3.42100e-04
Coefficient D			7.66600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.98	J/mol×K	273.00	Calculated Property
Cp,gas	158.93	J/mol×K	353.78	Calculated Property
Cp,gas	186.47	J/mol×K	434.56	Calculated Property
Cp,gas	210.84	J/mol×K	515.33	Calculated Property
Cp,gas	232.31	J/mol×K	596.11	Calculated Property
Cp,gas	251.09	J/mol×K	676.89	Calculated Property
Cp,gas	267.44	J/mol×K	757.67	Calculated Property
Cp,gas	281.61	J/mol×K	838.44	Calculated Property
Cp,gas	293.82	J/mol×K	919.22	Calculated Property
Cp,gas	304.33	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, N,N-dimethyl-.

Mixtures

• Propanamide, N,N-dimethyl- + Cyclohexane
• Propanamide, N,N-dimethyl- + Heptane
• Propanamide, N,N-dimethyl- + Methyl Alcohol
• Ethanol + Propanamide, N,N-dimethyl-
• 1-Propanol + Propanamide, N,N-dimethyl-
• Propanamide, N,N-dimethyl- + 1-Butanol
• Propanamide, N,N-dimethyl- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solvation of N-methyl-2-pyrrolidone and N,N-dimethylpropanamide in cyclohexane, heptane, n-alkan-1-ols(C1-C4) and water at 298.15K
• Density, Viscosity, and Electrical Conductivity of Protic Amidium Bis(trifluoromethanesulfonyl)amide Ionic Liquids
• Joback Method
• McGowan Method
• NIST Webbook

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