Chemical Properties of Acetamide, N-butyl- (CAS 1119-49-9)

InChI

InChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)

InChI Key

GYLDXXLJMRTVSS-UHFFFAOYSA-N

Formula

C6H13NO

SMILES

CCCCNC(C)=O

Molecular Weight¹

115.17

CAS

1119-49-9

Other Names

• N-Butylacetamide
• N-n-Butylacetamide

• ω : Acentric Factor.
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4865		Relay (1.0) Calculated Property
ΔfH°gas	-327.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.99	kJ/mol	Joback Calculated Property
ΔvapH°	[75.00; 76.00]	kJ/mol
ΔvapH°	75.00 ± 0.30	kJ/mol	NIST
ΔvapH°	76.00 ± 1.00	kJ/mol	NIST
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-0.50		Relay (1.0) Calculated Property
logPoct/wat	0.923		Crippen Calculated Property
McVol	106.950	ml/mol	McGowan Calculated Property
Pc	3388.08	kPa	Joback Calculated Property
Inp	[1057.00; 1090.00]
Inp	1090.00		NIST
Inp	1057.00		NIST
Inp	1057.00		NIST
I	1885.00		NIST
Tboil	502.20	K	NIST
Tc	646.71	K	Relay (1.0) Calculated Property
Tfus	248.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[236.00; 236.89]	J/mol×K	[298.15; 298.15]
Cp,liquid	236.89	J/mol×K	298.15	NIST
Cp,liquid	236.00	J/mol×K	298.15	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.87; 354.78]	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			3.58300e+00
Coefficient B			6.22040e-01
Coefficient C			-3.32500e-04
Coefficient D			6.16600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.87	J/mol×K	273.00	Calculated Property
Cp,gas	184.76	J/mol×K	353.78	Calculated Property
Cp,gas	216.16	J/mol×K	434.56	Calculated Property
Cp,gas	244.28	J/mol×K	515.33	Calculated Property
Cp,gas	269.30	J/mol×K	596.11	Calculated Property
Cp,gas	291.41	J/mol×K	676.89	Calculated Property
Cp,gas	310.83	J/mol×K	757.67	Calculated Property
Cp,gas	327.73	J/mol×K	838.44	Calculated Property
Cp,gas	342.32	J/mol×K	919.22	Calculated Property
Cp,gas	354.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[382.72; 530.69]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55638e+01
Coefficient B			-4.61298e+03
Coefficient C			-8.07480e+01
Temperature range, min.			382.72
Temperature range, max.			530.69
Pvap	1.33	kPa	382.72	Calculated Property
Pvap	2.93	kPa	399.16	Calculated Property
Pvap	5.98	kPa	415.60	Calculated Property
Pvap	11.39	kPa	432.04	Calculated Property
Pvap	20.48	kPa	448.48	Calculated Property
Pvap	35.04	kPa	464.93	Calculated Property
Pvap	57.35	kPa	481.37	Calculated Property
Pvap	90.29	kPa	497.81	Calculated Property
Pvap	137.35	kPa	514.25	Calculated Property
Pvap	202.63	kPa	530.69	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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