Chemical Properties of 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, cis

InChI

InChI=1S/C12H14O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4-8H,1-3H3/b7-5-

InChI Key

JXRYDOZRPYFBKO-ALCCZGGFSA-N

Formula

C12H14O4

SMILES

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

Molecular Weight¹

222.24

• 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).
• 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 formation 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	[241.03; 528.34]	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			4.89000e+01
Coefficient B			7.84760e-01
Coefficient C			-2.93320e-04
Coefficient D			-1.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.03	J/mol×K	273.00	Calculated Property
Cp,gas	289.29	J/mol×K	353.78	Calculated Property
Cp,gas	333.55	J/mol×K	434.56	Calculated Property
Cp,gas	373.77	J/mol×K	515.33	Calculated Property
Cp,gas	409.93	J/mol×K	596.11	Calculated Property
Cp,gas	441.98	J/mol×K	676.89	Calculated Property
Cp,gas	469.88	J/mol×K	757.67	Calculated Property
Cp,gas	493.60	J/mol×K	838.44	Calculated Property
Cp,gas	513.10	J/mol×K	919.22	Calculated Property
Cp,gas	528.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008981; 0.0001085]	Pa×s	[358.17; 579.54]	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			-1.25472e+01
Coefficient B			1.98140e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			358.17
Temperature range, max.			579.54
η	0.0008981	Pa×s	358.17	Calculated Property
η	0.0006294	Pa×s	382.77	Calculated Property
η	0.0004605	Pa×s	407.36	Calculated Property
η	0.0003491	Pa×s	431.96	Calculated Property
η	0.0002726	Pa×s	456.56	Calculated Property
η	0.0002184	Pa×s	481.15	Calculated Property
η	0.0001788	Pa×s	505.75	Calculated Property
η	0.0001491	Pa×s	530.35	Calculated Property
η	0.0001263	Pa×s	554.95	Calculated Property
η	0.0001085	Pa×s	579.54	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, cis.

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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