Chemical Properties of Fumaric acid, tetradec-3-enyl undecyl ester

InChI

InChI=1S/C29H52O4/c1-3-5-7-9-11-13-14-15-17-19-21-23-27-33-29(31)25-24-28(30)32-26-22-20-18-16-12-10-8-6-4-2/h19,21,24-25H,3-18,20,22-23,26-27H2,1-2H3/b21-19+,25-24+

InChI Key

NZABBEYBGSAODK-UBSPVRHQSA-N

Formula

C29H52O4

SMILES

CCCCCCCCCC/C=C/CCOC(=O)/C=C/C(=O)OCCCCCCCCCCC

Molecular Weight¹

464.73

• 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).
• IE : Ionization energy (eV).
• 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 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	[625.35; 1470.52]	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			-1.01900e+00
Coefficient B			2.68924e+00
Coefficient C			-1.53220e-03
Coefficient D			3.14500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	625.35	J/mol×K	273.00	Calculated Property
Cp,gas	772.53	J/mol×K	353.78	Calculated Property
Cp,gas	904.07	J/mol×K	434.56	Calculated Property
Cp,gas	1020.97	J/mol×K	515.33	Calculated Property
Cp,gas	1124.22	J/mol×K	596.11	Calculated Property
Cp,gas	1214.81	J/mol×K	676.89	Calculated Property
Cp,gas	1293.75	J/mol×K	757.67	Calculated Property
Cp,gas	1362.01	J/mol×K	838.44	Calculated Property
Cp,gas	1420.60	J/mol×K	919.22	Calculated Property
Cp,gas	1470.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003727; 0.0000142]	Pa×s	[491.09; 855.17]	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			-1.55775e+01
Coefficient B			3.77300e+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.			491.09
Temperature range, max.			855.17
η	0.0003727	Pa×s	491.09	Calculated Property
η	0.0002077	Pa×s	531.54	Calculated Property
η	0.0001257	Pa×s	572.00	Calculated Property
η	0.0000813	Pa×s	612.45	Calculated Property
η	0.0000555	Pa×s	652.90	Calculated Property
η	0.0000396	Pa×s	693.35	Calculated Property
η	0.0000294	Pa×s	733.81	Calculated Property
η	0.0000224	Pa×s	774.26	Calculated Property
η	0.0000176	Pa×s	814.71	Calculated Property
η	0.0000142	Pa×s	855.17	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, tetradec-3-enyl undecyl ester.

Sources

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

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