Chemical Properties of Pentanamide (CAS 626-97-1)

InChI

InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)

InChI Key

IPWFJLQDVFKJDU-UHFFFAOYSA-N

Formula

C5H11NO

SMILES

CCCCC(N)=O

Molecular Weight¹

101.15

CAS

626-97-1

Other Names

• n-valeramide
• pentanimidic acid
• valeramide

• ω : Acentric Factor.
• 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_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).
• 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_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	0.5492		Relay (1.0) Calculated Property
ΔcH°solid	-3160.10 ± 1.00	kJ/mol	NIST
ΔfG°	-71.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-346.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[17.90; 75.90]	kJ/mol
ΔfusH°	75.90	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°	17.90	kJ/mol	Heat Capacities and Enthalpies of Solid-Solid Transitions and Fusion of a Series of Eleven Primary Alkylamides by Differential Scanning Calorimetry
ΔsubH°	89.30 ± 0.40	kJ/mol	NIST
ΔvapH°	47.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-0.72		Relay (1.0) Calculated Property
logPoct/wat	0.662		Crippen Calculated Property
McVol	92.860	ml/mol	McGowan Calculated Property
Pc	4015.93	kPa	Joback Calculated Property
Inp	[918.00; 918.00]
Inp	918.00		NIST
Inp	918.00		NIST
I	2006.00		NIST
Tboil	439.68	K	Relay (1.0) Calculated Property
Tc	628.54	K	Relay (1.0) Calculated Property
Tfus	379.00 ± 0.60	K	NIST
Vc	0.347	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.30; 240.29]	J/mol×K	[440.20; 633.63]
Cp,gas	189.30	J/mol×K	440.20	Joback Calculated Property
Cp,gas	198.81	J/mol×K	472.44	Joback Calculated Property
Cp,gas	207.90	J/mol×K	504.68	Joback Calculated Property
Cp,gas	216.59	J/mol×K	536.92	Joback Calculated Property
Cp,gas	224.87	J/mol×K	569.15	Joback Calculated Property
Cp,gas	232.77	J/mol×K	601.39	Joback Calculated Property
Cp,gas	240.29	J/mol×K	633.63	Joback Calculated Property
ΔfusH	17.90	kJ/mol	377.20	NIST
ΔsubH	[89.10; 89.30]	kJ/mol	[353.50; 363.00]
ΔsubH	89.30 ± 0.40	kJ/mol	353.50	NIST
ΔsubH	89.10	kJ/mol	363.00	NIST

Similar Compounds

Find more compounds similar to Pentanamide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Validation of the Vaporization Enthalpies of Some Simple Aliphatic Amides and Their Use in the Evaluation of the Vaporization Enthalpy of Valpromide and Valnoctamide
• Heat Capacities and Enthalpies of Solid-Solid Transitions and Fusion of a Series of Eleven Primary Alkylamides by Differential Scanning Calorimetry
• Joback Method
• McGowan Method
• NIST Webbook

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