Chemical Properties of Fumaric acid, 4-methoxyphenyl 2-ethylhexyl ester

InChI

InChI=1S/C19H26O5/c1-4-6-7-15(5-2)14-23-18(20)12-13-19(21)24-17-10-8-16(22-3)9-11-17/h8-13,15H,4-7,14H2,1-3H3/b13-12-

InChI Key

HQIIUFINZJZBAF-OUKQBFOZSA-N

Formula

C19H26O5

SMILES

CCCCC(CC)COC(=O)/C=C/C(=O)Oc1ccc(OC)cc1

Molecular Weight¹

334.41

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	45.22	kJ/mol	Joback Calculated Property
log10WS	-5.65		Relay (1.0) Calculated Property
logPoct/wat	3.916		Crippen Calculated Property
McVol	271.260	ml/mol	McGowan Calculated Property
Pc	1399.59	kPa	Joback Calculated Property
Inp	[2483.00; 2483.00]
Inp	2483.00		NIST
Inp	2483.00		NIST
Tboil	642.83	K	Relay (1.0) Calculated Property
Tfus	301.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[387.60; 882.67]	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			2.64650e+01
Coefficient B			1.52356e+00
Coefficient C			-7.60760e-04
Coefficient D			9.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.60	J/mol×K	273.00	Calculated Property
Cp,gas	474.39	J/mol×K	353.78	Calculated Property
Cp,gas	552.54	J/mol×K	434.56	Calculated Property
Cp,gas	622.35	J/mol×K	515.33	Calculated Property
Cp,gas	684.13	J/mol×K	596.11	Calculated Property
Cp,gas	738.15	J/mol×K	676.89	Calculated Property
Cp,gas	784.72	J/mol×K	757.67	Calculated Property
Cp,gas	824.13	J/mol×K	838.44	Calculated Property
Cp,gas	856.68	J/mol×K	919.22	Calculated Property
Cp,gas	882.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007736; 0.0000500]	Pa×s	[429.64; 707.37]	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			-1.41406e+01
Coefficient B			2.99723e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			429.64
Temperature range, max.			707.37
η	0.0007736	Pa×s	429.64	Calculated Property
η	0.0004847	Pa×s	460.50	Calculated Property
η	0.0003221	Pa×s	491.36	Calculated Property
η	0.0002246	Pa×s	522.22	Calculated Property
η	0.0001631	Pa×s	553.07	Calculated Property
η	0.0001225	Pa×s	583.93	Calculated Property
η	0.0000946	Pa×s	614.79	Calculated Property
η	0.0000750	Pa×s	645.65	Calculated Property
η	0.0000607	Pa×s	676.51	Calculated Property
η	0.0000500	Pa×s	707.37	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-methoxyphenyl 2-ethylhexyl 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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