Chemical Properties of Propanamide, 2-methyl- (CAS 563-83-7)

InChI

InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)

InChI Key

WFKAJVHLWXSISD-UHFFFAOYSA-N

Formula

C4H9NO

SMILES

CC(C)C(N)=O

Molecular Weight¹

87.12

CAS

563-83-7

Other Names

• 2-methylpropanamide
• 2-methylpropionamide
• C-isopropylformamide
• isobutyramide

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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.
• Δ_subS : Entropy of sublimation at a given temperature (J/mol×K).
• 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	0.4714		Relay (1.0) Calculated Property
PAff	878.60	kJ/mol	NIST
BasG	[846.70; 851.00]	kJ/mol
BasG	846.70	kJ/mol	NIST
BasG	850.00 ± 6.00	kJ/mol	NIST
BasG	851.00 ± 3.00	kJ/mol	NIST
ΔcH°solid	-2491.70 ± 0.60	kJ/mol	NIST
ΔfH°gas	-282.60 ± 0.90	kJ/mol	NIST
ΔfH°solid	-368.60 ± 0.90	kJ/mol	NIST
ΔfusH°	19.20	kJ/mol	Heat Capacities and Enthalpies of Solid-Solid Transitions and Fusion of a Series of Eleven Primary Alkylamides by Differential Scanning Calorimetry
ΔsubH°	[86.00; 86.00]	kJ/mol
ΔsubH°	86.00 ± 0.20	kJ/mol	NIST
ΔsubH°	86.00 ± 0.20	kJ/mol	NIST
ΔvapH°	43.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	0.05		Relay (1.0) Calculated Property
logPoct/wat	0.128		Crippen Calculated Property
McVol	78.770	ml/mol	McGowan Calculated Property
Pc	4602.62	kPa	Joback Calculated Property
Inp	[923.00; 923.00]
Inp	923.00		NIST
Inp	923.00		NIST
Tboil	491.20	K	NIST
Tc	598.01	K	Relay (1.0) Calculated Property
Tfus	[401.15; 401.60]	K
Tfus	401.60	K	Validation of the Vaporization Enthalpies of Some Simple Aliphatic Amides and Their Use in the Evaluation of the Vaporization Enthalpy of Valpromide and Valnoctamide
Tfus	401.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.303	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	148.10	J/mol×K	298.15	NIST
ΔfusH	19.20	kJ/mol	400.10	NIST
ΔsubH	[86.00; 86.10]	kJ/mol	[293.50; 298.15]
ΔsubH	86.10 ± 0.20	kJ/mol	293.50	NIST
ΔsubH	86.00	kJ/mol	298.15	NIST
ΔsubS	288.40	J/mol×K	298.15	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[111.32; 251.22]	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			1.14200e+01
Coefficient B			4.23640e-01
Coefficient C			-2.21700e-04
Coefficient D			3.78600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	111.32	J/mol×K	273.00	Calculated Property
Cp,gas	135.22	J/mol×K	353.78	Calculated Property
Cp,gas	156.76	J/mol×K	434.56	Calculated Property
Cp,gas	176.04	J/mol×K	515.33	Calculated Property
Cp,gas	193.20	J/mol×K	596.11	Calculated Property
Cp,gas	208.34	J/mol×K	676.89	Calculated Property
Cp,gas	221.60	J/mol×K	757.67	Calculated Property
Cp,gas	233.08	J/mol×K	838.44	Calculated Property
Cp,gas	242.92	J/mol×K	919.22	Calculated Property
Cp,gas	251.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, 2-methyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.