Chemical Properties of Fumaric acid, 2,6-dimethoxyphenyl hept-2-yl ester

InChI

InChI=1S/C19H26O6/c1-5-6-7-9-14(2)24-17(20)12-13-18(21)25-19-15(22-3)10-8-11-16(19)23-4/h8,10-14H,5-7,9H2,1-4H3/b13-12-

InChI Key

XUKXZSKZBQHYNZ-OUKQBFOZSA-N

Formula

C19H26O6

SMILES

CCCCCC(C)OC(=O)/C=C/C(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

350.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[405.55; 898.12]	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			6.62640e+01
Coefficient B			1.40088e+00
Coefficient C			-5.82720e-04
Coefficient D			1.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	405.55	J/mol×K	273.00	Calculated Property
Cp,gas	489.54	J/mol×K	353.78	Calculated Property
Cp,gas	566.11	J/mol×K	434.56	Calculated Property
Cp,gas	635.31	J/mol×K	515.33	Calculated Property
Cp,gas	697.18	J/mol×K	596.11	Calculated Property
Cp,gas	751.76	J/mol×K	676.89	Calculated Property
Cp,gas	799.11	J/mol×K	757.67	Calculated Property
Cp,gas	839.25	J/mol×K	838.44	Calculated Property
Cp,gas	872.24	J/mol×K	919.22	Calculated Property
Cp,gas	898.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004183; 0.0000384]	Pa×s	[464.39; 727.39]	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			-1.43859e+01
Coefficient B			3.06806e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			464.39
Temperature range, max.			727.39
η	0.0004183	Pa×s	464.39	Calculated Property
η	0.0002829	Pa×s	493.61	Calculated Property
η	0.0001999	Pa×s	522.83	Calculated Property
η	0.0001465	Pa×s	552.06	Calculated Property
η	0.0001108	Pa×s	581.28	Calculated Property
η	0.0000861	Pa×s	610.50	Calculated Property
η	0.0000684	Pa×s	639.72	Calculated Property
η	0.0000555	Pa×s	668.94	Calculated Property
η	0.0000458	Pa×s	698.16	Calculated Property
η	0.0000384	Pa×s	727.39	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl hept-2-yl 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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