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

InChI

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

InChI Key

UGBBKANQDQDHTL-ZHACJKMWSA-N

Formula

C16H28O4

SMILES

CCCCCCOC(=O)C=CC(=O)OC(CC)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	[362.94; 831.50]	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			2.16160e+01
Coefficient B			1.44608e+00
Coefficient C			-7.47600e-04
Coefficient D			1.11400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	362.94	J/mol×K	273.00	Calculated Property
Cp,gas	444.57	J/mol×K	353.78	Calculated Property
Cp,gas	517.98	J/mol×K	434.56	Calculated Property
Cp,gas	583.54	J/mol×K	515.33	Calculated Property
Cp,gas	641.58	J/mol×K	596.11	Calculated Property
Cp,gas	692.47	J/mol×K	676.89	Calculated Property
Cp,gas	736.55	J/mol×K	757.67	Calculated Property
Cp,gas	774.18	J/mol×K	838.44	Calculated Property
Cp,gas	805.71	J/mol×K	919.22	Calculated Property
Cp,gas	831.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046132; 0.0000921]	Pa×s	[319.66; 605.88]	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			-1.36636e+01
Coefficient B			2.64832e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			319.66
Temperature range, max.			605.88
η	0.0046132	Pa×s	319.66	Calculated Property
η	0.0021799	Pa×s	351.46	Calculated Property
η	0.0011665	Pa×s	383.26	Calculated Property
η	0.0006870	Pa×s	415.07	Calculated Property
η	0.0004363	Pa×s	446.87	Calculated Property
η	0.0002943	Pa×s	478.67	Calculated Property
η	0.0002085	Pa×s	510.47	Calculated Property
η	0.0001538	Pa×s	542.28	Calculated Property
η	0.0001173	Pa×s	574.08	Calculated Property
η	0.0000921	Pa×s	605.88	Calculated Property

Similar Compounds

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

Sources

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

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