Chemical Properties of Fumaric acid, 2,4-dimethylpent-3-yl tetradecyl ester

InChI

InChI=1S/C25H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-28-23(26)18-19-24(27)29-25(21(2)3)22(4)5/h18-19,21-22,25H,6-17,20H2,1-5H3/b19-18+

InChI Key

IANLJONKIANLAJ-VHEBQXMUSA-N

Formula

C25H46O4

SMILES

CCCCCCCCCCCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

410.63

• 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	[553.55; 1296.35]	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			1.17530e+01
Coefficient B			2.30700e+00
Coefficient C			-1.24040e-03
Coefficient D			2.18000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	553.55	J/mol×K	273.00	Calculated Property
Cp,gas	682.32	J/mol×K	353.78	Calculated Property
Cp,gas	797.93	J/mol×K	434.56	Calculated Property
Cp,gas	901.05	J/mol×K	515.33	Calculated Property
Cp,gas	992.39	J/mol×K	596.11	Calculated Property
Cp,gas	1072.62	J/mol×K	676.89	Calculated Property
Cp,gas	1142.45	J/mol×K	757.67	Calculated Property
Cp,gas	1202.55	J/mol×K	838.44	Calculated Property
Cp,gas	1253.62	J/mol×K	919.22	Calculated Property
Cp,gas	1296.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014739; 0.0000251]	Pa×s	[406.09; 763.50]	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			-1.52213e+01
Coefficient B			3.53358e+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.			406.09
Temperature range, max.			763.50
η	0.0014739	Pa×s	406.09	Calculated Property
η	0.0006790	Pa×s	445.80	Calculated Property
η	0.0003550	Pa×s	485.52	Calculated Property
η	0.0002048	Pa×s	525.23	Calculated Property
η	0.0001276	Pa×s	564.94	Calculated Property
η	0.0000846	Pa×s	604.65	Calculated Property
η	0.0000590	Pa×s	644.37	Calculated Property
η	0.0000429	Pa×s	684.08	Calculated Property
η	0.0000323	Pa×s	723.79	Calculated Property
η	0.0000251	Pa×s	763.50	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl tetradecyl ester.

Sources

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

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