Chemical Properties of Benzamide, N-methyl- (CAS 613-93-4)

InChI

InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

InChI Key

NCCHARWOCKOHIH-UHFFFAOYSA-N

Formula

C8H9NO

SMILES

CNC(=O)c1ccccc1

Molecular Weight¹

135.16

CAS

613-93-4

Other Names

• N-methylbenzamide
• N-methylbenzenamide

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion 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.
• 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	0.4802		Relay (1.0) Calculated Property
ΔfG°	89.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-105.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.62	kJ/mol	Thermodynamic Study of Benzamide, N-Methylbenzamide, and N,N-Dimethylbenzamide: Vapor Pressures, Phase Diagrams, and Hydrogen Bond Enthalpy
ΔvapH°	67.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.33 ± 0.05	eV	NIST
log10WS	-1.44		Relay (1.0) Calculated Property
logPoct/wat	1.046		Crippen Calculated Property
McVol	111.370	ml/mol	McGowan Calculated Property
Pc	4010.84	kPa	Joback Calculated Property
Inp	[1390.00; 1404.00]
Inp	1390.00		NIST
Inp	1404.00		NIST
Tboil	519.69	K	Relay (1.0) Calculated Property
Tc	754.47	K	Relay (1.0) Calculated Property
Tfus	352.00 ± 3.00	K	NIST
Vc	0.403	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	[75.00; 85.70]	kJ/mol	[309.00; 318.00]
ΔsubH	75.00	kJ/mol	309.00	NIST
ΔsubH	85.70	kJ/mol	318.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[437.50; 440.20]	K	[1.50; 2.00]
Tboilr	440.20	K	1.50	NIST
Tboilr	437.50 ± 0.50	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.04; 339.44]	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			-3.21400e+01
Coefficient B			7.33120e-01
Coefficient C			-4.72500e-04
Coefficient D			1.10960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.04	J/mol×K	273.00	Calculated Property
Cp,gas	173.00	J/mol×K	353.78	Calculated Property
Cp,gas	206.32	J/mol×K	434.56	Calculated Property
Cp,gas	235.37	J/mol×K	515.33	Calculated Property
Cp,gas	260.48	J/mol×K	596.11	Calculated Property
Cp,gas	282.02	J/mol×K	676.89	Calculated Property
Cp,gas	300.34	J/mol×K	757.67	Calculated Property
Cp,gas	315.78	J/mol×K	838.44	Calculated Property
Cp,gas	328.70	J/mol×K	919.22	Calculated Property
Cp,gas	339.44	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic Study of Benzamide, N-Methylbenzamide, and N,N-Dimethylbenzamide: Vapor Pressures, Phase Diagrams, and Hydrogen Bond Enthalpy
• Joback Method
• McGowan Method
• NIST Webbook

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