Chemical Properties of Methyl 3-methoxy-4-methylbenzoate

InChI

InChI=1S/C10H12O3/c1-7-4-5-8(10(11)13-3)6-9(7)12-2/h4-6H,1-3H3

InChI Key

LLEXCSBUSVRBCA-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

COC(=O)c1ccc(C)c(OC)c1

Molecular Weight¹

180.20

Other Names

• Benzoic acid, 4-methyl-3-methoxy, methyl ester
• Benzoic acid, 3-methoxy-4-methyl-, methyl ester
• 3-methoxy-4-methylbenzoesaeuremethylester

• 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).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.21; 437.24]	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			3.94000e+01
Coefficient B			6.37960e-01
Coefficient C			-2.11720e-04
Coefficient D			-2.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.21	J/mol×K	273.00	Calculated Property
Cp,gas	237.34	J/mol×K	353.78	Calculated Property
Cp,gas	274.32	J/mol×K	434.56	Calculated Property
Cp,gas	308.05	J/mol×K	515.33	Calculated Property
Cp,gas	338.44	J/mol×K	596.11	Calculated Property
Cp,gas	365.41	J/mol×K	676.89	Calculated Property
Cp,gas	388.87	J/mol×K	757.67	Calculated Property
Cp,gas	408.72	J/mol×K	838.44	Calculated Property
Cp,gas	424.87	J/mol×K	919.22	Calculated Property
Cp,gas	437.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014081; 0.0001694]	Pa×s	[318.48; 529.00]	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			-1.18869e+01
Coefficient B			1.69475e+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.			318.48
Temperature range, max.			529.00
η	0.0014081	Pa×s	318.48	Calculated Property
η	0.0009783	Pa×s	341.87	Calculated Property
η	0.0007122	Pa×s	365.26	Calculated Property
η	0.0005387	Pa×s	388.65	Calculated Property
η	0.0004206	Pa×s	412.05	Calculated Property
η	0.0003372	Pa×s	435.44	Calculated Property
η	0.0002765	Pa×s	458.83	Calculated Property
η	0.0002311	Pa×s	482.22	Calculated Property
η	0.0001965	Pa×s	505.61	Calculated Property
η	0.0001694	Pa×s	529.00	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 3-methoxy-4-methylbenzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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