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

InChI

InChI=1S/C14H22O5/c1-4-5-6-7-10-18-13(16)8-9-14(17)19-12(3)11(2)15/h8-9,12H,4-7,10H2,1-3H3/b9-8+

InChI Key

ZHRFVSDJOSIEJI-CMDGGOBGSA-N

Formula

C14H22O5

SMILES

CCCCCCOC(=O)/C=C/C(=O)OC(C)C(C)=O

Molecular Weight¹

270.32

• 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	[321.76; 716.79]	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			3.24750e+01
Coefficient B			1.22216e+00
Coefficient C			-6.16900e-04
Coefficient D			7.90600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	321.76	J/mol×K	273.00	Calculated Property
Cp,gas	391.14	J/mol×K	353.78	Calculated Property
Cp,gas	453.56	J/mol×K	434.56	Calculated Property
Cp,gas	509.29	J/mol×K	515.33	Calculated Property
Cp,gas	558.55	J/mol×K	596.11	Calculated Property
Cp,gas	601.61	J/mol×K	676.89	Calculated Property
Cp,gas	638.71	J/mol×K	757.67	Calculated Property
Cp,gas	670.11	J/mol×K	838.44	Calculated Property
Cp,gas	696.06	J/mol×K	919.22	Calculated Property
Cp,gas	716.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025717; 0.0001229]	Pa×s	[362.05; 616.34]	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			-1.33334e+01
Coefficient B			2.66837e+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.			362.05
Temperature range, max.			616.34
η	0.0025717	Pa×s	362.05	Calculated Property
η	0.0015084	Pa×s	390.30	Calculated Property
η	0.0009508	Pa×s	418.56	Calculated Property
η	0.0006353	Pa×s	446.81	Calculated Property
η	0.0004454	Pa×s	475.07	Calculated Property
η	0.0003249	Pa×s	503.32	Calculated Property
η	0.0002451	Pa×s	531.58	Calculated Property
η	0.0001903	Pa×s	559.83	Calculated Property
η	0.0001513	Pa×s	588.09	Calculated Property
η	0.0001229	Pa×s	616.34	Calculated Property

Similar Compounds

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

Sources

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

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