Chemical Properties of Propanoic acid, 3-(3,4,5-trimethoxyphenyl), methyl ester

InChI

InChI=1S/C13H18O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h7-8H,5-6H2,1-4H3

InChI Key

KCQHYTFTCZDNMC-UHFFFAOYSA-N

Formula

C13H18O5

SMILES

COC(=O)CCc1cc(OC)c(OC)c(OC)c1

Molecular Weight¹

254.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[294.21; 625.97]	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			1.01972e+02
Coefficient B			7.37080e-01
Coefficient C			-8.58800e-05
Coefficient D			-1.27200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.21	J/mol×K	273.00	Calculated Property
Cp,gas	346.35	J/mol×K	353.78	Calculated Property
Cp,gas	395.62	J/mol×K	434.56	Calculated Property
Cp,gas	441.60	J/mol×K	515.33	Calculated Property
Cp,gas	483.89	J/mol×K	596.11	Calculated Property
Cp,gas	522.10	J/mol×K	676.89	Calculated Property
Cp,gas	555.81	J/mol×K	757.67	Calculated Property
Cp,gas	584.63	J/mol×K	838.44	Calculated Property
Cp,gas	608.15	J/mol×K	919.22	Calculated Property
Cp,gas	625.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005448; 0.0000988]	Pa×s	[409.27; 603.71]	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			-1.28176e+01
Coefficient B			2.17015e+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.			409.27
Temperature range, max.			603.71
η	0.0005448	Pa×s	409.27	Calculated Property
η	0.0004176	Pa×s	430.87	Calculated Property
η	0.0003284	Pa×s	452.48	Calculated Property
η	0.0002639	Pa×s	474.08	Calculated Property
η	0.0002162	Pa×s	495.69	Calculated Property
η	0.0001800	Pa×s	517.29	Calculated Property
η	0.0001522	Pa×s	538.90	Calculated Property
η	0.0001303	Pa×s	560.50	Calculated Property
η	0.0001128	Pa×s	582.11	Calculated Property
η	0.0000988	Pa×s	603.71	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 3-(3,4,5-trimethoxyphenyl), methyl ester.

Sources

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

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