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

InChI

InChI=1S/C21H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-25-20(23)15-16-21(24)26-19(3)18(2)22/h15-16,19H,4-14,17H2,1-3H3/b16-15+

InChI Key

UHFHZYBUDDBCBR-FOCLMDBBSA-N

Formula

C21H36O5

SMILES

CCCCCCCCCCCCCOC(=O)/C=C/C(=O)OC(C)C(C)=O

Molecular Weight¹

368.51

• 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_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	[470.25; 1077.93]	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			2.61120e+01
Coefficient B			1.88716e+00
Coefficient C			-9.97700e-04
Coefficient D			1.62360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	470.25	J/mol×K	273.00	Calculated Property
Cp,gas	576.07	J/mol×K	353.78	Calculated Property
Cp,gas	671.11	J/mol×K	434.56	Calculated Property
Cp,gas	755.89	J/mol×K	515.33	Calculated Property
Cp,gas	830.93	J/mol×K	596.11	Calculated Property
Cp,gas	896.74	J/mol×K	676.89	Calculated Property
Cp,gas	953.83	J/mol×K	757.67	Calculated Property
Cp,gas	1002.72	J/mol×K	838.44	Calculated Property
Cp,gas	1043.91	J/mol×K	919.22	Calculated Property
Cp,gas	1077.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010383; 0.0000513]	Pa×s	[440.94; 733.20]	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			-1.44165e+01
Coefficient B			3.32749e+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.			440.94
Temperature range, max.			733.20
η	0.0010383	Pa×s	440.94	Calculated Property
η	0.0006188	Pa×s	473.41	Calculated Property
η	0.0003941	Pa×s	505.89	Calculated Property
η	0.0002650	Pa×s	538.36	Calculated Property
η	0.0001865	Pa×s	570.83	Calculated Property
η	0.0001362	Pa×s	603.31	Calculated Property
η	0.0001028	Pa×s	635.78	Calculated Property
η	0.0000797	Pa×s	668.25	Calculated Property
η	0.0000633	Pa×s	700.72	Calculated Property
η	0.0000513	Pa×s	733.20	Calculated Property

Similar Compounds

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

Sources

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

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