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

InChI

InChI=1S/C16H28O4/c1-6-7-8-9-12-19-14(17)10-11-15(18)20-13(2)16(3,4)5/h10-11,13H,6-9,12H2,1-5H3/b11-10+

InChI Key

ZEDGNOAKTIQXNW-ZHACJKMWSA-N

Formula

C16H28O4

SMILES

CCCCCCOC(=O)C=CC(=O)OC(C)C(C)(C)C

Molecular Weight¹

284.39

• 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	[361.80; 832.43]	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			-1.17500e+00
Coefficient B			1.56600e+00
Coefficient C			-9.16200e-04
Coefficient D			1.83800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.80	J/mol×K	273.00	Calculated Property
Cp,gas	446.31	J/mol×K	353.78	Calculated Property
Cp,gas	521.41	J/mol×K	434.56	Calculated Property
Cp,gas	587.68	J/mol×K	515.33	Calculated Property
Cp,gas	645.70	J/mol×K	596.11	Calculated Property
Cp,gas	696.05	J/mol×K	676.89	Calculated Property
Cp,gas	739.32	J/mol×K	757.67	Calculated Property
Cp,gas	776.09	J/mol×K	838.44	Calculated Property
Cp,gas	806.93	J/mol×K	919.22	Calculated Property
Cp,gas	832.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036773; 0.0000855]	Pa×s	[337.08; 607.08]	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			-1.40636e+01
Coefficient B			2.85104e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			337.08
Temperature range, max.			607.08
η	0.0036773	Pa×s	337.08	Calculated Property
η	0.0018421	Pa×s	367.08	Calculated Property
η	0.0010244	Pa×s	397.08	Calculated Property
η	0.0006186	Pa×s	427.08	Calculated Property
η	0.0003992	Pa×s	457.08	Calculated Property
η	0.0002718	Pa×s	487.08	Calculated Property
η	0.0001936	Pa×s	517.08	Calculated Property
η	0.0001431	Pa×s	547.08	Calculated Property
η	0.0001091	Pa×s	577.08	Calculated Property
η	0.0000855	Pa×s	607.08	Calculated Property

Similar Compounds

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

Sources

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

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