Chemical Properties of Fumaric acid, eicosyl 3-oxobut-2-yl ester

InChI

InChI=1S/C28H50O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-27(30)22-23-28(31)33-26(3)25(2)29/h22-23,26H,4-21,24H2,1-3H3/b23-22+

InChI Key

BWTNKSKSUHLXIP-GHVJWSGMSA-N

Formula

C28H50O5

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OC(C)C(C)=O

Molecular Weight¹

466.69

• 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_c : Critical 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 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	[618.75; 1439.07]	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			1.97490e+01
Coefficient B			2.55216e+00
Coefficient C			-1.37850e-03
Coefficient D			2.45660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	618.75	J/mol×K	273.00	Calculated Property
Cp,gas	760.99	J/mol×K	353.78	Calculated Property
Cp,gas	888.65	J/mol×K	434.56	Calculated Property
Cp,gas	1002.50	J/mol×K	515.33	Calculated Property
Cp,gas	1103.31	J/mol×K	596.11	Calculated Property
Cp,gas	1191.87	J/mol×K	676.89	Calculated Property
Cp,gas	1268.94	J/mol×K	757.67	Calculated Property
Cp,gas	1335.32	J/mol×K	838.44	Calculated Property
Cp,gas	1391.77	J/mol×K	919.22	Calculated Property
Cp,gas	1439.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003692; 0.0000161]	Pa×s	[519.83; 879.00]	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			-1.55733e+01
Coefficient B			3.98661e+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.			519.83
Temperature range, max.			879.00
η	0.0003692	Pa×s	519.83	Calculated Property
η	0.0002137	Pa×s	559.74	Calculated Property
η	0.0001330	Pa×s	599.65	Calculated Property
η	0.0000879	Pa×s	639.55	Calculated Property
η	0.0000609	Pa×s	679.46	Calculated Property
η	0.0000440	Pa×s	719.37	Calculated Property
η	0.0000329	Pa×s	759.28	Calculated Property
η	0.0000253	Pa×s	799.18	Calculated Property
η	0.0000200	Pa×s	839.09	Calculated Property
η	0.0000161	Pa×s	879.00	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, eicosyl 3-oxobut-2-yl ester.

Sources

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

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