Chemical Properties of Fumaric acid, 3,4-dimethoxyphenyl propyl ester

InChI

InChI=1S/C15H18O6/c1-4-9-20-14(16)7-8-15(17)21-11-5-6-12(18-2)13(10-11)19-3/h5-8,10H,4,9H2,1-3H3/b8-7-

InChI Key

ZTJKSTVJDDCBPR-BQYQJAHWSA-N

Formula

C15H18O6

SMILES

CCCOC(=O)/C=C/C(=O)Oc1ccc(OC)c(OC)c1

Molecular Weight¹

294.30

• 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).
• 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, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[321.01; 691.22]	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			7.15820e+01
Coefficient B			1.01496e+00
Coefficient C			-3.61920e-04
Coefficient D			-3.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	321.01	J/mol×K	273.00	Calculated Property
Cp,gas	383.88	J/mol×K	353.78	Calculated Property
Cp,gas	441.55	J/mol×K	434.56	Calculated Property
Cp,gas	493.94	J/mol×K	515.33	Calculated Property
Cp,gas	540.93	J/mol×K	596.11	Calculated Property
Cp,gas	582.41	J/mol×K	676.89	Calculated Property
Cp,gas	618.29	J/mol×K	757.67	Calculated Property
Cp,gas	648.46	J/mol×K	838.44	Calculated Property
Cp,gas	672.80	J/mol×K	919.22	Calculated Property
Cp,gas	691.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005419; 0.0000653]	Pa×s	[434.31; 664.51]	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			-1.36304e+01
Coefficient B			2.65360e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			434.31
Temperature range, max.			664.51
η	0.0005419	Pa×s	434.31	Calculated Property
η	0.0003858	Pa×s	459.89	Calculated Property
η	0.0002846	Pa×s	485.47	Calculated Property
η	0.0002165	Pa×s	511.04	Calculated Property
η	0.0001690	Pa×s	536.62	Calculated Property
η	0.0001350	Pa×s	562.20	Calculated Property
η	0.0001099	Pa×s	587.78	Calculated Property
η	0.0000911	Pa×s	613.36	Calculated Property
η	0.0000766	Pa×s	638.94	Calculated Property
η	0.0000653	Pa×s	664.51	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,4-dimethoxyphenyl propyl ester.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.