Chemical Properties of Acetamide, N-propyl-

InChI

InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)

InChI Key

IHPHPGLJYCDONF-UHFFFAOYSA-N

Formula

C5H11NO

SMILES

CCCNC(C)=O

Molecular Weight¹

101.15

Other Names

• N-Propylacetamide
• Acetamide, N-n-propyl-,
• N-(n-Propyl)ethanamide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-306.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.40	kJ/mol	Joback Calculated Property
ΔvapH°	69.80 ± 0.20	kJ/mol	NIST
IE	9.29	eV	Relay (1.0) Calculated Property
logPoct/wat	0.532		Crippen Calculated Property
McVol	92.860	ml/mol	McGowan Calculated Property
Inp	[974.00; 975.00]
Inp	974.00		NIST
Inp	975.00		NIST
Inp	974.00		NIST
Inp	974.00		NIST
Ip	[1802.00; 1802.00]
Ip	1802.00		NIST
Ip	1802.00		NIST
Tboil	449.72	K	Relay (1.0) Calculated Property
Tfus	243.28	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[207.00; 207.94]	J/mol×K	[298.15; 298.15]
Cp,liquid	207.94	J/mol×K	298.15	NIST
Cp,liquid	207.00	J/mol×K	298.15	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.66; 303.19]	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			4.49200e+00
Coefficient B			5.27040e-01
Coefficient C			-2.78100e-04
Coefficient D			4.97600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.66	J/mol×K	273.00	Calculated Property
Cp,gas	158.34	J/mol×K	353.78	Calculated Property
Cp,gas	185.09	J/mol×K	434.56	Calculated Property
Cp,gas	209.05	J/mol×K	515.33	Calculated Property
Cp,gas	230.38	J/mol×K	596.11	Calculated Property
Cp,gas	249.25	J/mol×K	676.89	Calculated Property
Cp,gas	265.81	J/mol×K	757.67	Calculated Property
Cp,gas	280.21	J/mol×K	838.44	Calculated Property
Cp,gas	292.62	J/mol×K	919.22	Calculated Property
Cp,gas	303.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, N-propyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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