Chemical Properties of Acetamide, N-(2-methylpropyl)-

InChI

InChI=1S/C6H13NO/c1-5(2)4-7-6(3)8/h5H,4H2,1-3H3,(H,7,8)

InChI Key

VDQMVRFHUYAKJL-UHFFFAOYSA-N

Formula

C6H13NO

SMILES

CC(=O)NCC(C)C

Molecular Weight¹

115.18

Other Names

• Acetamide, N-isobutyl-
• N-(2-Methylpropyl)acetamide
• N-Isobutylacetamide
• N-(2-Methyl-propyl)ethanamide
• N-(2-Methyl-2-propyl)ethanamide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid 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).
• 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	0.4578		Relay (1.0) Calculated Property
ΔfH°gas	-340.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.47	kJ/mol	Joback Calculated Property
ΔvapH°	53.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-0.64		Relay (1.0) Calculated Property
logPoct/wat	0.778		Crippen Calculated Property
McVol	106.950	ml/mol	McGowan Calculated Property
Pc	3419.86	kPa	Joback Calculated Property
Inp	[998.00; 1027.00]
Inp	1013.00		NIST
Inp	998.00		NIST
Inp	1027.00		NIST
I	[1690.00; 1731.00]
I	1731.00		NIST
I	1690.00		NIST
Tboil	453.19	K	Relay (1.0) Calculated Property
Tc	626.37	K	Relay (1.0) Calculated Property
Tfus	246.81	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.56; 355.32]	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			1.90100e+00
Coefficient B			6.27960e-01
Coefficient C			-3.35700e-04
Coefficient D			6.11600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.56	J/mol×K	273.00	Calculated Property
Cp,gas	184.75	J/mol×K	353.78	Calculated Property
Cp,gas	216.41	J/mol×K	434.56	Calculated Property
Cp,gas	244.73	J/mol×K	515.33	Calculated Property
Cp,gas	269.90	J/mol×K	596.11	Calculated Property
Cp,gas	292.12	J/mol×K	676.89	Calculated Property
Cp,gas	311.58	J/mol×K	757.67	Calculated Property
Cp,gas	328.47	J/mol×K	838.44	Calculated Property
Cp,gas	342.98	J/mol×K	919.22	Calculated Property
Cp,gas	355.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, N-(2-methylpropyl)-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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