Chemical Properties of Fumaric acid, 3,3-dimethylbut-2-yl hexadecyl ester

InChI

InChI=1S/C26H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-24(27)20-21-25(28)30-23(2)26(3,4)5/h20-21,23H,6-19,22H2,1-5H3/b21-20+

InChI Key

SQVUVPZULNFEHT-QZQOTICOSA-N

Formula

C26H48O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OC(C)C(C)(C)C

Molecular Weight¹

424.67

• 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	[573.94; 1348.34]	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			-1.02650e+01
Coefficient B			2.51600e+00
Coefficient C			-1.46020e-03
Coefficient D			3.02800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	573.94	J/mol×K	273.00	Calculated Property
Cp,gas	710.49	J/mol×K	353.78	Calculated Property
Cp,gas	832.18	J/mol×K	434.56	Calculated Property
Cp,gas	939.97	J/mol×K	515.33	Calculated Property
Cp,gas	1034.81	J/mol×K	596.11	Calculated Property
Cp,gas	1117.66	J/mol×K	676.89	Calculated Property
Cp,gas	1189.49	J/mol×K	757.67	Calculated Property
Cp,gas	1251.23	J/mol×K	838.44	Calculated Property
Cp,gas	1303.86	J/mol×K	919.22	Calculated Property
Cp,gas	1348.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007314; 0.0000204]	Pa×s	[449.78; 781.34]	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			-1.56527e+01
Coefficient B			3.79264e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			449.78
Temperature range, max.			781.34
η	0.0007314	Pa×s	449.78	Calculated Property
η	0.0003863	Pa×s	486.62	Calculated Property
η	0.0002232	Pa×s	523.46	Calculated Property
η	0.0001386	Pa×s	560.30	Calculated Property
η	0.0000913	Pa×s	597.14	Calculated Property
η	0.0000631	Pa×s	633.98	Calculated Property
η	0.0000454	Pa×s	670.82	Calculated Property
η	0.0000339	Pa×s	707.66	Calculated Property
η	0.0000260	Pa×s	744.50	Calculated Property
η	0.0000204	Pa×s	781.34	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,3-dimethylbut-2-yl hexadecyl ester.

Sources

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

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