Chemical Properties of Ethyl 2,4,6-trimethoxycinnamate (CAS 67827-53-6)

InChI

InChI=1S/C14H18O5/c1-5-19-14(15)7-6-11-12(17-3)8-10(16-2)9-13(11)18-4/h6-9H,5H2,1-4H3/b7-6+

InChI Key

NGOZXDZLACOEPS-VOTSOKGWSA-N

Formula

C14H18O5

SMILES

CCOC(=O)C=Cc1c(OC)cc(OC)cc1OC

Molecular Weight¹

266.29

CAS

67827-53-6

Other Names

• 2-Propenoic acid, 3-(2,4,6-trimethoxyphenyl)-, ethyl ester

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, 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	[301.42; 646.98]	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			8.68810e+01
Coefficient B			8.52080e-01
Coefficient C			-2.24080e-04
Coefficient D			-6.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	301.42	J/mol×K	273.00	Calculated Property
Cp,gas	357.28	J/mol×K	353.78	Calculated Property
Cp,gas	409.27	J/mol×K	434.56	Calculated Property
Cp,gas	457.19	J/mol×K	515.33	Calculated Property
Cp,gas	500.81	J/mol×K	596.11	Calculated Property
Cp,gas	539.92	J/mol×K	676.89	Calculated Property
Cp,gas	574.31	J/mol×K	757.67	Calculated Property
Cp,gas	603.76	J/mol×K	838.44	Calculated Property
Cp,gas	628.05	J/mol×K	919.22	Calculated Property
Cp,gas	646.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004697; 0.0000766]	Pa×s	[415.46; 625.91]	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			-1.30564e+01
Coefficient B			2.24055e+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.			415.46
Temperature range, max.			625.91
η	0.0004697	Pa×s	415.46	Calculated Property
η	0.0003524	Pa×s	438.84	Calculated Property
η	0.0002722	Pa×s	462.23	Calculated Property
η	0.0002155	Pa×s	485.61	Calculated Property
η	0.0001743	Pa×s	508.99	Calculated Property
η	0.0001437	Pa×s	532.38	Calculated Property
η	0.0001204	Pa×s	555.76	Calculated Property
η	0.0001023	Pa×s	579.14	Calculated Property
η	0.0000880	Pa×s	602.52	Calculated Property
η	0.0000766	Pa×s	625.91	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2,4,6-trimethoxycinnamate.

Sources

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

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