Chemical Properties of Dihexyl fumarate

InChI

InChI=1S/C16H28O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11+

InChI Key

QMCVOSQFZZCSLN-VAWYXSNFSA-N

Formula

C16H28O4

SMILES

CCCCCCOC(=O)/C=C/C(=O)OCCCCCC

Molecular Weight¹

284.40

Other Names

• di-n-Hexyl fumarate
• 2-Butenedioic acid (E)-, dihexyl ester
• Fumaric acid, dihexyl ester
• Dihexyl trans-butenedioate
• Hexyl fumarate

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.57; 830.42]	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			2.49800e+01
Coefficient B			1.43424e+00
Coefficient C			-7.41200e-04
Coefficient D			1.12400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.57	J/mol×K	273.00	Calculated Property
Cp,gas	444.59	J/mol×K	353.78	Calculated Property
Cp,gas	517.49	J/mol×K	434.56	Calculated Property
Cp,gas	582.63	J/mol×K	515.33	Calculated Property
Cp,gas	640.37	J/mol×K	596.11	Calculated Property
Cp,gas	691.06	J/mol×K	676.89	Calculated Property
Cp,gas	735.05	J/mol×K	757.67	Calculated Property
Cp,gas	772.71	J/mol×K	838.44	Calculated Property
Cp,gas	804.38	J/mol×K	919.22	Calculated Property
Cp,gas	830.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023864; 0.0001082]	Pa×s	[349.66; 603.31]	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			-1.33956e+01
Coefficient B			2.57268e+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.			349.66
Temperature range, max.			603.31
η	0.0023864	Pa×s	349.66	Calculated Property
η	0.0013785	Pa×s	377.84	Calculated Property
η	0.0008593	Pa×s	406.03	Calculated Property
η	0.0005696	Pa×s	434.21	Calculated Property
η	0.0003969	Pa×s	462.39	Calculated Property
η	0.0002883	Pa×s	490.57	Calculated Property
η	0.0002168	Pa×s	518.76	Calculated Property
η	0.0001679	Pa×s	546.94	Calculated Property
η	0.0001334	Pa×s	575.12	Calculated Property
η	0.0001082	Pa×s	603.31	Calculated Property

Similar Compounds

Find more compounds similar to Dihexyl fumarate.

Sources

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

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