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

InChI

InChI=1S/C23H34O6/c1-4-5-6-7-8-9-10-11-12-17-28-22(24)15-16-23(25)29-19-13-14-20(26-2)21(18-19)27-3/h13-16,18H,4-12,17H2,1-3H3/b16-15+

InChI Key

ZAIFUMROOCZVLN-FOCLMDBBSA-N

Formula

C23H34O6

SMILES

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

Molecular Weight¹

406.51

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[490.72; 1103.95]	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			6.43100e+01
Coefficient B			1.77496e+00
Coefficient C			-7.97120e-04
Coefficient D			6.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	490.72	J/mol×K	273.00	Calculated Property
Cp,gas	595.22	J/mol×K	353.78	Calculated Property
Cp,gas	690.17	J/mol×K	434.56	Calculated Property
Cp,gas	775.77	J/mol×K	515.33	Calculated Property
Cp,gas	852.22	J/mol×K	596.11	Calculated Property
Cp,gas	919.70	J/mol×K	676.89	Calculated Property
Cp,gas	978.42	J/mol×K	757.67	Calculated Property
Cp,gas	1028.57	J/mol×K	838.44	Calculated Property
Cp,gas	1070.35	J/mol×K	919.22	Calculated Property
Cp,gas	1103.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002241; 0.0000244]	Pa×s	[524.47; 795.99]	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			-1.48994e+01
Coefficient B			3.40688e+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.			524.47
Temperature range, max.			795.99
η	0.0002241	Pa×s	524.47	Calculated Property
η	0.0001574	Pa×s	554.64	Calculated Property
η	0.0001146	Pa×s	584.81	Calculated Property
η	0.0000861	Pa×s	614.98	Calculated Property
η	0.0000665	Pa×s	645.15	Calculated Property
η	0.0000525	Pa×s	675.32	Calculated Property
η	0.0000423	Pa×s	705.49	Calculated Property
η	0.0000347	Pa×s	735.66	Calculated Property
η	0.0000289	Pa×s	765.82	Calculated Property
η	0.0000244	Pa×s	795.99	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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