Chemical Properties of Propanamide, N-methyl- (CAS 1187-58-2)

InChI

InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)

InChI Key

QJQAMHYHNCADNR-UHFFFAOYSA-N

Formula

C4H9NO

SMILES

CCC(=O)NC

Molecular Weight¹

87.12

CAS

1187-58-2

Other Names

• N-Methylpropanamide
• N-Methylpropionamide
• N-Methylpropionic acid amide
• N-Methylpropionsaureamid
• Propionamide, N-methyl-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4210		Relay (1.0) Calculated Property
PAff	920.40	kJ/mol	NIST
BasG	[864.00; 889.40]	kJ/mol
BasG	889.40	kJ/mol	NIST
BasG	864.00 ± 5.00	kJ/mol	NIST
ΔcH°liquid	-2539.70 ± 0.80	kJ/mol	NIST
ΔfG°	-56.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-270.34	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-320.10 ± 0.80	kJ/mol	NIST
ΔfusH°	12.81	kJ/mol	Joback Calculated Property
ΔvapH°	[64.90; 66.90]	kJ/mol
ΔvapH°	66.60 ± 0.20	kJ/mol	NIST
ΔvapH°	66.90 ± 1.30	kJ/mol	NIST
ΔvapH°	64.90 ± 0.30	kJ/mol	NIST
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	0.85		Relay (1.0) Calculated Property
logPoct/wat	0.142		Crippen Calculated Property
McVol	78.770	ml/mol	McGowan Calculated Property
Pc	4294.29	kPa	Joback Calculated Property
Inp	[897.00; 921.00]
Inp	921.00		NIST
Inp	897.00		NIST
Inp	897.00		NIST
Ip	[1645.00; 1690.00]
Ip	1645.00		NIST
Ip	1690.00		NIST
Tboil	430.64	K	Relay (1.0) Calculated Property
Tc	613.93	K	Relay (1.0) Calculated Property
Tfus	242.25	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.300	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	179.00	J/mol×K	298.15	NIST
ΔvapH	[54.20; 64.00]	kJ/mol	[333.00; 430.50]
ΔvapH	54.40	kJ/mol	333.00	NIST
ΔvapH	64.00 ± 0.20	kJ/mol	339.00	NIST
ΔvapH	54.20	kJ/mol	387.50	NIST
ΔvapH	64.00 ± 0.30	kJ/mol	420.50	NIST
ΔvapH	56.60 ± 0.20	kJ/mol	430.50	NIST
ΔvapH	63.90 ± 0.20	kJ/mol	430.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[107.45; 251.60]	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			5.40100e+00
Coefficient B			4.32040e-01
Coefficient C			-2.23700e-04
Coefficient D			3.78600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	107.45	J/mol×K	273.00	Calculated Property
Cp,gas	131.93	J/mol×K	353.78	Calculated Property
Cp,gas	154.01	J/mol×K	434.56	Calculated Property
Cp,gas	173.82	J/mol×K	515.33	Calculated Property
Cp,gas	191.47	J/mol×K	596.11	Calculated Property
Cp,gas	207.09	J/mol×K	676.89	Calculated Property
Cp,gas	220.79	J/mol×K	757.67	Calculated Property
Cp,gas	232.70	J/mol×K	838.44	Calculated Property
Cp,gas	242.93	J/mol×K	919.22	Calculated Property
Cp,gas	251.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.03; 202.67]	kPa	[354.25; 461.42]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			9.49285e+00
Coefficient B			-8.02697e+02
Coefficient C			-2.69445e+02
Temperature range, min.			354.25
Temperature range, max.			461.42
Pvap	1.03	kPa	354.25	Calculated Property
Pvap	3.30	kPa	366.16	Calculated Property
Pvap	8.19	kPa	378.07	Calculated Property
Pvap	17.00	kPa	389.97	Calculated Property
Pvap	30.93	kPa	401.88	Calculated Property
Pvap	51.00	kPa	413.79	Calculated Property
Pvap	77.92	kPa	425.70	Calculated Property
Pvap	112.10	kPa	437.60	Calculated Property
Pvap	153.71	kPa	449.51	Calculated Property
Pvap	202.67	kPa	461.42	Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, N-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
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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