Chemical Properties of 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (E)- (CAS 16909-09-4)

InChI

InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+

InChI Key

YIKHDPHTFYWYJV-GQCTYLIASA-N

Formula

C11H12O4

SMILES

COc1ccc(C=CC(=O)O)c(OC)c1

Molecular Weight¹

208.21

CAS

16909-09-4

Other Names

• trans-2,4-Dimethoxycinnamic acid
• (E)-2',4'-dimethoxycinnamic acid

• 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_subH° : Enthalpy of sublimation 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 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	[217.11; 479.42]	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			2.90000e+01
Coefficient B			7.95340e-01
Coefficient C			-4.06120e-04
Coefficient D			6.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.11	J/mol×K	273.00	Calculated Property
Cp,gas	262.25	J/mol×K	353.78	Calculated Property
Cp,gas	302.95	J/mol×K	434.56	Calculated Property
Cp,gas	339.39	J/mol×K	515.33	Calculated Property
Cp,gas	371.76	J/mol×K	596.11	Calculated Property
Cp,gas	400.26	J/mol×K	676.89	Calculated Property
Cp,gas	425.08	J/mol×K	757.67	Calculated Property
Cp,gas	446.42	J/mol×K	838.44	Calculated Property
Cp,gas	464.47	J/mol×K	919.22	Calculated Property
Cp,gas	479.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004842; 0.0001333]	Pa×s	[465.17; 632.59]	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			-1.25054e+01
Coefficient B			2.26646e+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.			465.17
Temperature range, max.			632.59
η	0.0004842	Pa×s	465.17	Calculated Property
η	0.0004014	Pa×s	483.77	Calculated Property
η	0.0003375	Pa×s	502.37	Calculated Property
η	0.0002873	Pa×s	520.98	Calculated Property
η	0.0002473	Pa×s	539.58	Calculated Property
η	0.0002150	Pa×s	558.18	Calculated Property
η	0.0001886	Pa×s	576.78	Calculated Property
η	0.0001668	Pa×s	595.38	Calculated Property
η	0.0001486	Pa×s	613.99	Calculated Property
η	0.0001333	Pa×s	632.59	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (E)-.

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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