Chemical Properties of Propanamide (CAS 79-05-0)

InChI

InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)

InChI Key

QLNJFJADRCOGBJ-UHFFFAOYSA-N

Formula

C3H7NO

SMILES

CCC(N)=O

Molecular Weight¹

73.09

CAS

79-05-0

Other Names

• Amid kyseliny propionove
• Propionic amide
• propionamide
• propionic acid amide

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid 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°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• 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	0.4781		Relay (1.0) Calculated Property
PAff	876.20	kJ/mol	NIST
BasG	[843.10; 847.30]	kJ/mol
BasG	845.30	kJ/mol	NIST
BasG	847.30 ± 5.00	kJ/mol	NIST
BasG	844.40 ± 4.90	kJ/mol	NIST
BasG	845.00 ± 10.00	kJ/mol	NIST
BasG	845.00 ± 10.00	kJ/mol	NIST
BasG	843.10 ± 4.10	kJ/mol	NIST
BasG	843.30 ± 3.00	kJ/mol	NIST
ΔcH°solid	[-2138.21; -1842.75]	kJ/mol
ΔcH°solid	-2138.21 ± 0.64	kJ/mol	NIST
ΔcH°solid	-1842.75 ± 0.52	kJ/mol	NIST
ΔfG°	-88.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-258.94 ± 0.66	kJ/mol	NIST
ΔfH°solid	-338.19 ± 0.56	kJ/mol	NIST
ΔfusH°	[12.90; 68.70]	kJ/mol
ΔfusH°	68.70	kJ/mol	Validation of the Vaporization Enthalpies of Some Simple Aliphatic Amides and Their Use in the Evaluation of the Vaporization Enthalpy of Valpromide and Valnoctamide
ΔfusH°	12.90	kJ/mol	Heat Capacities and Enthalpies of Solid-Solid Transitions and Fusion of a Series of Eleven Primary Alkylamides by Differential Scanning Calorimetry
ΔsubH°	[75.00; 79.25]	kJ/mol
ΔsubH°	75.00 ± 4.00	kJ/mol	NIST
ΔsubH°	79.25 ± 0.33	kJ/mol	NIST
ΔvapH°	42.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	Relay (1.0) Calculated Property
log10WS	0.46		Relay (1.0) Calculated Property
logPoct/wat	-0.118		Crippen Calculated Property
McVol	64.680	ml/mol	McGowan Calculated Property
Pc	5205.63	kPa	Joback Calculated Property
Inp	984.00		NIST
I	[1792.00; 1822.00]
I	1822.00		NIST
I	1792.00		NIST
I	1807.00		NIST
I	1801.00		NIST
I	1821.00		NIST
I	1822.00		NIST
I	1792.00		NIST
I	1801.00		NIST
Tboil	[486.20; 495.40]	K
Tboil	486.20	K	NIST
Tboil	495.40 ± 0.80	K	NIST
Tboil	495.35 ± 1.50	K	NIST
Tboil	495.30 ± 0.50	K	NIST
Tboil	495.30 ± 0.50	K	NIST
Tc	606.89	K	Relay (1.0) Calculated Property
Tfus	352.80 ± 0.60	K	NIST
Vc	0.248	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[12.90; 12.90]	kJ/mol	[352.60; 352.60]
ΔfusH	12.90	kJ/mol	352.60	NIST
ΔfusH	12.90	kJ/mol	352.60	NIST
ΔsubH	79.10 ± 0.40	kJ/mol	332.00	NIST
ΔvapH	[60.30; 63.90]	kJ/mol	[412.00; 425.50]
ΔvapH	60.30	kJ/mol	412.00	NIST
ΔvapH	63.90	kJ/mol	425.50	NIST
Pvap	[0.97; 60.86]	kPa	[375.45; 475.85]
Pvap	0.97	kPa	375.45	Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide
Pvap	1.53	kPa	384.15	Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide
Pvap	2.52	kPa	394.15	Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide
Pvap	4.02	kPa	403.65	Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide
Pvap	6.40	kPa	414.05	Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide
Pvap	11.22	kPa	427.65	Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide
Pvap	21.16	kPa	443.85	Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide
Pvap	31.04	kPa	455.55	Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide
Pvap	40.87	kPa	462.95	Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide
Pvap	50.69	kPa	469.05	Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide
Pvap	60.86	kPa	475.85	Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[90.42; 199.09]	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			1.40110e+01
Coefficient B			3.22720e-01
Coefficient C			-1.64100e-04
Coefficient D			2.64600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	90.42	J/mol×K	273.00	Calculated Property
Cp,gas	108.82	J/mol×K	353.78	Calculated Property
Cp,gas	125.43	J/mol×K	434.56	Calculated Property
Cp,gas	140.36	J/mol×K	515.33	Calculated Property
Cp,gas	153.68	J/mol×K	596.11	Calculated Property
Cp,gas	165.48	J/mol×K	676.89	Calculated Property
Cp,gas	175.83	J/mol×K	757.67	Calculated Property
Cp,gas	184.83	J/mol×K	838.44	Calculated Property
Cp,gas	192.55	J/mol×K	919.22	Calculated Property
Cp,gas	199.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.14; 99.32]	kPa	[338.00; 486.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.02827e+01
Coefficient B			-7.84033e+03
Coefficient C			1.38820e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			338.00
Temperature range, max.			486.00
Pvap	0.14	kPa	338.00	Calculated Property
Pvap	0.37	kPa	354.44	Calculated Property
Pvap	0.91	kPa	370.89	Calculated Property
Pvap	2.10	kPa	387.33	Calculated Property
Pvap	4.53	kPa	403.78	Calculated Property
Pvap	9.22	kPa	420.22	Calculated Property
Pvap	17.83	kPa	436.67	Calculated Property
Pvap	32.91	kPa	453.11	Calculated Property
Pvap	58.26	kPa	469.56	Calculated Property
Pvap	99.32	kPa	486.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanamide.

Mixtures

• Propanamide + Water
• Propanamide + Undecane
• Propanamide + Carbon dioxide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Influence of aliphatic amides on the temperature of maximum density of water
• Enthalpy of dilution of aliphatic amides in aqueous solutions at temperatures between 293.15K and 308.15K
• Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n-Undecane + Propionamide, and Pure Component Vapor Pressure and Density Data for Propionamide
• Validation of the Vaporization Enthalpies of Some Simple Aliphatic Amides and Their Use in the Evaluation of the Vaporization Enthalpy of Valpromide and Valnoctamide
• Experimental Measurements and Correlation of the Solubility of Three Primary Amides in Supercritical CO2: Acetanilide, Propanamide, and Butanamide
• Heat Capacities and Enthalpies of Solid-Solid Transitions and Fusion of a Series of Eleven Primary Alkylamides by Differential Scanning Calorimetry
• Solubility of Acetamide, Propionamide, and Butyramide in Water at Temperatures between (278.15 and 333.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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