Chemical Properties of Fumaric acid, di(3,4-dimethoxyphenyl) ester

InChI

InChI=1S/C20H20O8/c1-23-15-7-5-13(11-17(15)25-3)27-19(21)9-10-20(22)28-14-6-8-16(24-2)18(12-14)26-4/h5-12H,1-4H3/b10-9-

InChI Key

ZRWICVAFXXATAO-MDZDMXLPSA-N

Formula

C20H20O8

SMILES

COc1ccc(OC(=O)/C=C/C(=O)Oc2ccc(OC)c(OC)c2)cc1OC

Molecular Weight¹

388.37

• 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).
• 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	[405.73; 861.57]	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			1.12730e+02
Coefficient B			1.16568e+00
Coefficient C			-3.09040e-04
Coefficient D			-1.07800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	405.73	J/mol×K	273.00	Calculated Property
Cp,gas	481.67	J/mol×K	353.78	Calculated Property
Cp,gas	552.08	J/mol×K	434.56	Calculated Property
Cp,gas	616.62	J/mol×K	515.33	Calculated Property
Cp,gas	674.95	J/mol×K	596.11	Calculated Property
Cp,gas	726.74	J/mol×K	676.89	Calculated Property
Cp,gas	771.63	J/mol×K	757.67	Calculated Property
Cp,gas	809.30	J/mol×K	838.44	Calculated Property
Cp,gas	839.39	J/mol×K	919.22	Calculated Property
Cp,gas	861.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001019; 0.0000209]	Pa×s	[586.58; 816.61]	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			-1.48160e+01
Coefficient B			3.29948e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			586.58
Temperature range, max.			816.61
η	0.0001019	Pa×s	586.58	Calculated Property
η	0.0000806	Pa×s	612.14	Calculated Property
η	0.0000649	Pa×s	637.70	Calculated Property
η	0.0000532	Pa×s	663.26	Calculated Property
η	0.0000442	Pa×s	688.82	Calculated Property
η	0.0000373	Pa×s	714.37	Calculated Property
η	0.0000318	Pa×s	739.93	Calculated Property
η	0.0000274	Pa×s	765.49	Calculated Property
η	0.0000238	Pa×s	791.05	Calculated Property
η	0.0000209	Pa×s	816.61	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, di(3,4-dimethoxyphenyl) 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

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