Chemical Properties of 2,3,4-Trimethoxycinnamic acid

InChI

InChI=1S/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b7-5-

InChI Key

ZYOPDNLIHHFGEC-FNORWQNLSA-N

Formula

C12H14O5

SMILES

COc1ccc(/C=C/C(=O)O)c(OC)c1OC

Molecular Weight¹

238.24

Other Names

• 2-Propenoic acid, 3-(2,3,4-trimethoxyphenyl)-
• trans-2,3,4-trimethoxycinnamic acid

• 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).
• 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).
• 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, 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	[256.27; 546.47]	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			6.78900e+01
Coefficient B			7.67660e-01
Coefficient C			-2.82480e-04
Coefficient D			-6.60000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.27	J/mol×K	273.00	Calculated Property
Cp,gas	303.82	J/mol×K	353.78	Calculated Property
Cp,gas	347.60	J/mol×K	434.56	Calculated Property
Cp,gas	387.57	J/mol×K	515.33	Calculated Property
Cp,gas	423.72	J/mol×K	596.11	Calculated Property
Cp,gas	456.04	J/mol×K	676.89	Calculated Property
Cp,gas	484.49	J/mol×K	757.67	Calculated Property
Cp,gas	509.06	J/mol×K	838.44	Calculated Property
Cp,gas	529.73	J/mol×K	919.22	Calculated Property
Cp,gas	546.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003019; 0.0001009]	Pa×s	[511.19; 664.24]	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			-1.28617e+01
Coefficient B			2.43145e+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.			511.19
Temperature range, max.			664.24
η	0.0003019	Pa×s	511.19	Calculated Property
η	0.0002591	Pa×s	528.20	Calculated Property
η	0.0002244	Pa×s	545.20	Calculated Property
η	0.0001961	Pa×s	562.21	Calculated Property
η	0.0001727	Pa×s	579.21	Calculated Property
η	0.0001532	Pa×s	596.22	Calculated Property
η	0.0001368	Pa×s	613.22	Calculated Property
η	0.0001230	Pa×s	630.23	Calculated Property
η	0.0001111	Pa×s	647.23	Calculated Property
η	0.0001009	Pa×s	664.24	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trimethoxycinnamic acid.

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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