Chemical Properties of Benzoic acid, 2,4-dimethoxy-6-methyl-, methyl ester (CAS 6110-37-8)

InChI

InChI=1S/C11H14O4/c1-7-5-8(13-2)6-9(14-3)10(7)11(12)15-4/h5-6H,1-4H3

InChI Key

QCEODMDPMRZZDI-UHFFFAOYSA-N

Formula

C11H14O4

SMILES

COC(=O)c1c(C)cc(OC)cc1OC

Molecular Weight¹

210.23

CAS

6110-37-8

Other Names

• o-Toluic acid, 4,6-dimethoxy-, methyl ester
• Methyl 2,4-dimethoxy-6-methylbenzoate

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[236.37; 504.29]	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			7.82900e+01
Coefficient B			6.10280e-01
Coefficient C			-8.80800e-05
Coefficient D			-9.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.37	J/mol×K	273.00	Calculated Property
Cp,gas	278.91	J/mol×K	353.78	Calculated Property
Cp,gas	318.96	J/mol×K	434.56	Calculated Property
Cp,gas	356.23	J/mol×K	515.33	Calculated Property
Cp,gas	390.41	J/mol×K	596.11	Calculated Property
Cp,gas	421.19	J/mol×K	676.89	Calculated Property
Cp,gas	448.27	J/mol×K	757.67	Calculated Property
Cp,gas	471.35	J/mol×K	838.44	Calculated Property
Cp,gas	490.13	J/mol×K	919.22	Calculated Property
Cp,gas	504.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008074; 0.0001351]	Pa×s	[364.50; 561.11]	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			-1.22238e+01
Coefficient B			1.85974e+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.			364.50
Temperature range, max.			561.11
η	0.0008074	Pa×s	364.50	Calculated Property
η	0.0006051	Pa×s	386.35	Calculated Property
η	0.0004677	Pa×s	408.19	Calculated Property
η	0.0003710	Pa×s	430.04	Calculated Property
η	0.0003010	Pa×s	451.88	Calculated Property
η	0.0002490	Pa×s	473.73	Calculated Property
η	0.0002094	Pa×s	495.57	Calculated Property
η	0.0001787	Pa×s	517.42	Calculated Property
η	0.0001545	Pa×s	539.27	Calculated Property
η	0.0001351	Pa×s	561.11	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2,4-dimethoxy-6-methyl-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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