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

InChI

InChI=1S/C24H44O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-27-22(25)18-19-23(26)28-21(2)24(3,4)5/h18-19,21H,6-17,20H2,1-5H3/b19-18+

InChI Key

FIPKYXYUVVUDBT-VHEBQXMUSA-N

Formula

C24H44O4

SMILES

CCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OC(C)C(C)(C)C

Molecular Weight¹

396.61

• 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	[531.51; 1245.15]	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			-8.44700e+00
Coefficient B			2.32600e+00
Coefficient C			-1.35140e-03
Coefficient D			2.79000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	531.51	J/mol×K	273.00	Calculated Property
Cp,gas	657.65	J/mol×K	353.78	Calculated Property
Cp,gas	770.03	J/mol×K	434.56	Calculated Property
Cp,gas	869.51	J/mol×K	515.33	Calculated Property
Cp,gas	956.99	J/mol×K	596.11	Calculated Property
Cp,gas	1033.34	J/mol×K	676.89	Calculated Property
Cp,gas	1099.45	J/mol×K	757.67	Calculated Property
Cp,gas	1156.20	J/mol×K	838.44	Calculated Property
Cp,gas	1204.48	J/mol×K	919.22	Calculated Property
Cp,gas	1245.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010212; 0.0000285]	Pa×s	[427.24; 742.27]	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			-1.53230e+01
Coefficient B			3.60432e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			427.24
Temperature range, max.			742.27
η	0.0010212	Pa×s	427.24	Calculated Property
η	0.0005391	Pa×s	462.24	Calculated Property
η	0.0003114	Pa×s	497.25	Calculated Property
η	0.0001933	Pa×s	532.25	Calculated Property
η	0.0001273	Pa×s	567.25	Calculated Property
η	0.0000880	Pa×s	602.26	Calculated Property
η	0.0000633	Pa×s	637.26	Calculated Property
η	0.0000472	Pa×s	672.26	Calculated Property
η	0.0000362	Pa×s	707.26	Calculated Property
η	0.0000285	Pa×s	742.27	Calculated Property

Similar Compounds

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

Sources

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

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