Chemical Properties of METHYL 2-METHOXYBENZOATE

InChI

InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3

InChI Key

PFYHAAAQPNMZHO-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COC(=O)c1ccccc1OC

Molecular Weight¹

166.18

Other Names

• 2-Methoxybenzoic acid, methyl ester
• Benzoic acid, 2-methoxy-, methyl ester
• Benzoic acid, o-methoxy-, methyl ester
• Dimethyl derivative of Salicylic acid
• Dimethyl salicylate
• Methyl ester of o-Methoxybenzoic acid
• Methyl o-anisate
• Methyl o-methoxybenzoate
• Methylsalicylate methyl ether
• NSC 406256
• o-Anisic acid, methyl ester
• o-Methoxy methyl benzoate
• o-Methoxybenzoic acid methyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5440		Relay (1.0) Calculated Property
ΔfH°gas	-422.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.28	kJ/mol	Joback Calculated Property
ΔvapH°	68.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-2.34		Relay (1.0) Calculated Property
logPoct/wat	1.482		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	3163.27	kPa	Joback Calculated Property
Inp	[1292.00; 1362.00]
Inp	1303.00		NIST
Inp	1298.00		NIST
Inp	1341.00		NIST
Inp	1362.00		NIST
Inp	1335.00		NIST
Inp	1336.00		NIST
Inp	1295.00		NIST
Inp	1295.00		NIST
Inp	1351.30		NIST
Inp	1335.00		NIST
Inp	1347.00		NIST
Inp	1351.00		NIST
Inp	1292.00		NIST
Inp	1293.00		NIST
Inp	1295.00		NIST
Inp	1347.00		NIST
Inp	1337.00		NIST
Inp	1295.00		NIST
Inp	1298.00		NIST
Inp	1351.30		NIST
Inp	1303.00		NIST
Ip	[2032.00; 2088.00]
Ip	2049.00		NIST
Ip	2073.00		NIST
Ip	2032.00		NIST
Ip	2088.00		NIST
Ip	2049.00		NIST
Ip	2032.00		NIST
Ip	2088.00		NIST
Tboil	521.20	K	NIST
Tc	724.51	K	Relay (1.0) Calculated Property
Tfus	269.01	K	Relay (1.0) Calculated Property
Ttriple	276.42	K	Thermochemical Study of Methyl n-Methoxybenzoates: An Experimental and Computational Approach
Vc	0.472	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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.44; 388.69]	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			2.60100e+01
Coefficient B			6.02440e-01
Coefficient C			-2.24360e-04
Coefficient D			-1.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.44	J/mol×K	273.00	Calculated Property
Cp,gas	210.38	J/mol×K	353.78	Calculated Property
Cp,gas	244.17	J/mol×K	434.56	Calculated Property
Cp,gas	274.78	J/mol×K	515.33	Calculated Property
Cp,gas	302.14	J/mol×K	596.11	Calculated Property
Cp,gas	326.22	J/mol×K	676.89	Calculated Property
Cp,gas	346.96	J/mol×K	757.67	Calculated Property
Cp,gas	364.32	J/mol×K	838.44	Calculated Property
Cp,gas	378.25	J/mol×K	919.22	Calculated Property
Cp,gas	388.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019159; 0.0001785]	Pa×s	[294.69; 511.09]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18630e+01
Coefficient B			1.65185e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			294.69
Temperature range, max.			511.09
η	0.0019159	Pa×s	294.69	Calculated Property
η	0.0012553	Pa×s	318.73	Calculated Property
η	0.0008727	Pa×s	342.78	Calculated Property
η	0.0006363	Pa×s	366.82	Calculated Property
η	0.0004824	Pa×s	390.87	Calculated Property
η	0.0003776	Pa×s	414.91	Calculated Property
η	0.0003036	Pa×s	438.95	Calculated Property
η	0.0002497	Pa×s	463.00	Calculated Property
η	0.0002094	Pa×s	487.04	Calculated Property
η	0.0001785	Pa×s	511.09	Calculated Property

Similar Compounds

Find more compounds similar to METHYL 2-METHOXYBENZOATE.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermochemical Study of Methyl n-Methoxybenzoates: An Experimental and Computational Approach
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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