Chemical Properties of 2-Ethoxycinnamic acid (CAS 69038-81-9)

InChI

InChI=1S/C11H12O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b8-7+

InChI Key

UXTDCJJEJZCEBF-BQYQJAHWSA-N

Formula

C11H12O3

SMILES

CCOc1ccccc1C=CC(=O)O

Molecular Weight¹

192.21

CAS

69038-81-9

Other Names

• o-Ethoxy cinnamic acid
• Propenoic acid, 3-(2-ethoxyphenyl)-
• 2-Propenoic acid, 3-(2-ethoxyphenyl)-
• Cinnamic acid, o-ethoxy-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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	[199.15; 463.96]	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			-1.07990e+01
Coefficient B			9.18020e-01
Coefficient C			-5.84160e-04
Coefficient D			1.40900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.15	J/mol×K	273.00	Calculated Property
Cp,gas	247.10	J/mol×K	353.78	Calculated Property
Cp,gas	289.38	J/mol×K	434.56	Calculated Property
Cp,gas	326.44	J/mol×K	515.33	Calculated Property
Cp,gas	358.71	J/mol×K	596.11	Calculated Property
Cp,gas	386.65	J/mol×K	676.89	Calculated Property
Cp,gas	410.70	J/mol×K	757.67	Calculated Property
Cp,gas	431.30	J/mol×K	838.44	Calculated Property
Cp,gas	448.91	J/mol×K	919.22	Calculated Property
Cp,gas	463.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007524; 0.0001630]	Pa×s	[430.42; 614.77]	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			-1.22934e+01
Coefficient B			2.19563e+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.			430.42
Temperature range, max.			614.77
η	0.0007524	Pa×s	430.42	Calculated Property
η	0.0005968	Pa×s	450.90	Calculated Property
η	0.0004830	Pa×s	471.39	Calculated Property
η	0.0003978	Pa×s	491.87	Calculated Property
η	0.0003328	Pa×s	512.35	Calculated Property
η	0.0002822	Pa×s	532.84	Calculated Property
η	0.0002423	Pa×s	553.32	Calculated Property
η	0.0002103	Pa×s	573.81	Calculated Property
η	0.0001843	Pa×s	594.29	Calculated Property
η	0.0001630	Pa×s	614.77	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethoxycinnamic 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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