Chemical Properties of Pentanamide, N-butyl (CAS 2763-67-9)

InChI

InChI=1S/C9H19NO/c1-3-5-7-9(11)10-8-6-4-2/h3-8H2,1-2H3,(H,10,11)

InChI Key

PKOPLDUHARSIKV-UHFFFAOYSA-N

Formula

C9H19NO

SMILES

CCCCNC(=O)CCCC

Molecular Weight¹

157.25

CAS

2763-67-9

Other Names

• n-Butylpentanamide

• 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_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.
• 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	0.6059		Relay (1.0) Calculated Property
ΔcH°solid	[-5791.90; -5791.90]	kJ/mol
ΔcH°solid	-5791.90 ± 1.70	kJ/mol	NIST
ΔcH°solid	-5791.90 ± 1.70	kJ/mol	NIST
ΔfG°	-14.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-383.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.76	kJ/mol	Joback Calculated Property
ΔvapH°	62.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-1.80		Relay (1.0) Calculated Property
logPoct/wat	2.093		Crippen Calculated Property
McVol	149.220	ml/mol	McGowan Calculated Property
Pc	2485.07	kPa	Joback Calculated Property
Inp	1338.00		NIST
Tboil	493.74	K	Relay (1.0) Calculated Property
Tc	696.43	K	Relay (1.0) Calculated Property
Tfus	259.42	K	Relay (1.0) Calculated Property
Vc	0.572	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.51; 509.56]	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			8.56000e-01
Coefficient B			9.07040e-01
Coefficient C			-4.95700e-04
Coefficient D			9.73600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.51	J/mol×K	273.00	Calculated Property
Cp,gas	264.02	J/mol×K	353.78	Calculated Property
Cp,gas	309.40	J/mol×K	434.56	Calculated Property
Cp,gas	349.97	J/mol×K	515.33	Calculated Property
Cp,gas	386.03	J/mol×K	596.11	Calculated Property
Cp,gas	417.90	J/mol×K	676.89	Calculated Property
Cp,gas	445.88	J/mol×K	757.67	Calculated Property
Cp,gas	470.27	J/mol×K	838.44	Calculated Property
Cp,gas	491.40	J/mol×K	919.22	Calculated Property
Cp,gas	509.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentanamide, N-butyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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