Chemical Properties of m-Methoxybenzamide (CAS 5813-86-5)

InChI

InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)

InChI Key

VKPLPDIMEREJJF-UHFFFAOYSA-N

Formula

C8H9NO2

SMILES

COc1cccc(C(N)=O)c1

Molecular Weight¹

151.16

CAS

5813-86-5

Other Names

• 3-methoxybenzamide
• Benzamide, 3-methoxy-
• m-anisamide

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas 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.
• 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
PAff	900.90	kJ/mol	NIST
BasG	869.90	kJ/mol	NIST
ΔfH°gas	-279.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.60	kJ/mol	The thermodynamic stability of the three isomers of methoxybenzamide: An experimental and computational study
ΔvapH°	75.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	NIST
log10WS	-2.00		Relay (1.0) Calculated Property
logPoct/wat	0.794		Crippen Calculated Property
McVol	117.240	ml/mol	McGowan Calculated Property
Pc	4072.51	kPa	Joback Calculated Property
Inp	[1581.00; 1581.00]
Inp	1581.00		NIST
Inp	1581.00		NIST
Tboil	561.78	K	Relay (1.0) Calculated Property
Tc	777.18	K	Relay (1.0) Calculated Property
Tfus	334.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.19; 353.98]	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			1.53600e+01
Coefficient B			5.96120e-01
Coefficient C			-2.89260e-04
Coefficient D			3.17600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.19	J/mol×K	273.00	Calculated Property
Cp,gas	191.46	J/mol×K	353.78	Calculated Property
Cp,gas	222.39	J/mol×K	434.56	Calculated Property
Cp,gas	250.09	J/mol×K	515.33	Calculated Property
Cp,gas	274.65	J/mol×K	596.11	Calculated Property
Cp,gas	296.18	J/mol×K	676.89	Calculated Property
Cp,gas	314.78	J/mol×K	757.67	Calculated Property
Cp,gas	330.55	J/mol×K	838.44	Calculated Property
Cp,gas	343.58	J/mol×K	919.22	Calculated Property
Cp,gas	353.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to m-Methoxybenzamide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• The thermodynamic stability of the three isomers of methoxybenzamide: An experimental and computational study
• New method for determination of vaporization and sublimation enthalpy of aromatic compounds at 298.15 K using solution calorimetry technique and group-additivity scheme
• Joback Method
• McGowan Method
• NIST Webbook

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