Chemical Properties of Butanamide (CAS 541-35-5)

InChI

InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)

InChI Key

DNSISZSEWVHGLH-UHFFFAOYSA-N

Formula

C4H9NO

SMILES

CCCC(N)=O

Molecular Weight¹

87.12

CAS

541-35-5

Other Names

• butanoic acid amide
• butyramide
• n-Butylamide
• n-Butyramide
• n-C3H7C(O)NH2

• ω : Acentric Factor.
• 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).
• 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	0.5135		Relay (1.0) Calculated Property
BasG	[847.00; 849.00]	kJ/mol
BasG	847.00 ± 6.00	kJ/mol	NIST
BasG	849.00 ± 5.00	kJ/mol	NIST
ΔcH°solid	[-2496.30; -2494.70]	kJ/mol
ΔcH°solid	-2494.70 ± 0.70	kJ/mol	NIST
ΔcH°solid	-2496.30 ± 0.40	kJ/mol	NIST
ΔfG°	-79.67	kJ/mol	Joback Calculated Property
ΔfH°gas	[-279.17; -279.10]	kJ/mol
ΔfH°gas	-279.17 ± 0.88	kJ/mol	NIST
ΔfH°gas	-279.10 ± 1.80	kJ/mol	NIST
ΔfH°solid	[-365.53; -364.00]	kJ/mol
ΔfH°solid	-365.53 ± 0.76	kJ/mol	NIST
ΔfH°solid	-364.00 ± 0.40	kJ/mol	NIST
ΔfusH°	[19.20; 72.30]	kJ/mol
ΔfusH°	72.30	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°	19.20	kJ/mol	Heat Capacities and Enthalpies of Solid-Solid Transitions and Fusion of a Series of Eleven Primary Alkylamides by Differential Scanning Calorimetry
ΔsubH°	[82.00; 86.36]	kJ/mol
ΔsubH°	82.00 ± 4.00	kJ/mol	NIST
ΔsubH°	82.00 ± 4.00	kJ/mol	NIST
ΔsubH°	86.36 ± 0.42	kJ/mol	NIST
ΔsubH°	85.40 ± 1.70	kJ/mol	NIST
ΔsubH°	85.00 ± 2.00	kJ/mol	NIST
ΔvapH°	43.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	-0.12		Relay (1.0) Calculated Property
logPoct/wat	0.272		Crippen Calculated Property
McVol	78.770	ml/mol	McGowan Calculated Property
Pc	4553.06	kPa	Joback Calculated Property
I	[1901.00; 1901.00]
I	1901.00		NIST
I	1901.00		NIST
Tboil	489.20	K	NIST
Tc	608.61	K	Relay (1.0) Calculated Property
Tfus	[388.40; 388.80]	K
Tfus	388.40	K	Establishing benchmarks for the Second Industrial Fluids Simulation Challenge
Tfus	388.80 ± 0.50	K	NIST
Vc	0.293	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.16; 195.83]	J/mol×K	[417.32; 612.66]
Cp,gas	152.16	J/mol×K	417.32	Joback Calculated Property
Cp,gas	160.30	J/mol×K	449.88	Joback Calculated Property
Cp,gas	168.08	J/mol×K	482.43	Joback Calculated Property
Cp,gas	175.51	J/mol×K	514.99	Joback Calculated Property
Cp,gas	182.61	J/mol×K	547.55	Joback Calculated Property
Cp,gas	189.38	J/mol×K	580.10	Joback Calculated Property
Cp,gas	195.83	J/mol×K	612.66	Joback Calculated Property
ΔfusH	[19.20; 19.20]	kJ/mol	[387.30; 387.30]
ΔfusH	19.20	kJ/mol	387.30	NIST
ΔfusH	19.20	kJ/mol	387.30	NIST
ΔsubH	[86.40; 87.00]	kJ/mol	[319.50; 363.00]
ΔsubH	87.00 ± 0.80	kJ/mol	319.50	NIST
ΔsubH	86.40 ± 0.40	kJ/mol	359.00	NIST
ΔsubH	87.00	kJ/mol	363.00	NIST
ΔvapH	64.00	kJ/mol	450.50	NIST

Similar Compounds

Find more compounds similar to Butanamide.

Mixtures

• Butanamide + Water
• Carbon dioxide + Butanamide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Establishing benchmarks for the Second Industrial Fluids Simulation Challenge
• 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
• 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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