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

InChI

InChI=1S/C14H16O6/c1-4-19-13(15)7-8-14(16)20-10-5-6-11(17-2)12(9-10)18-3/h5-9H,4H2,1-3H3/b8-7+

InChI Key

UHIQRBXLMGNTQZ-BQYQJAHWSA-N

Formula

C14H16O6

SMILES

CCOC(=O)C=CC(=O)Oc1ccc(OC)c(OC)c1

Molecular Weight¹

280.27

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-885.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.59	kJ/mol	Joback Calculated Property
ΔvapH°	92.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-3.31		Relay (1.0) Calculated Property
logPoct/wat	1.728		Crippen Calculated Property
McVol	206.680	ml/mol	McGowan Calculated Property
Pc	2005.50	kPa	Joback Calculated Property
Inp	[2161.00; 2161.00]
Inp	2161.00		NIST
Inp	2161.00		NIST
Tboil	602.25	K	Relay (1.0) Calculated Property
Tc	808.05	K	Relay (1.0) Calculated Property
Tfus	356.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[559.35; 625.32]	J/mol×K	[722.00; 928.59]
Cp,gas	559.35	J/mol×K	722.00	Joback Calculated Property
Cp,gas	572.81	J/mol×K	756.43	Joback Calculated Property
Cp,gas	585.30	J/mol×K	790.86	Joback Calculated Property
Cp,gas	596.81	J/mol×K	825.29	Joback Calculated Property
Cp,gas	607.32	J/mol×K	859.73	Joback Calculated Property
Cp,gas	616.83	J/mol×K	894.16	Joback Calculated Property
Cp,gas	625.32	J/mol×K	928.59	Joback Calculated Property
η	[0.0000484; 0.0005931]	Pa×s	[423.04; 722.00]
η	0.0005931	Pa×s	423.04	Joback Calculated Property
η	0.0003135	Pa×s	472.87	Joback Calculated Property
η	0.0001872	Pa×s	522.69	Joback Calculated Property
η	0.0001222	Pa×s	572.52	Joback Calculated Property
η	0.0000854	Pa×s	622.35	Joback Calculated Property
η	0.0000630	Pa×s	672.17	Joback Calculated Property
η	0.0000484	Pa×s	722.00	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
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