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

InChI

InChI=1S/C15H24O5/c1-4-5-6-7-8-11-19-14(17)9-10-15(18)20-13(3)12(2)16/h9-10,13H,4-8,11H2,1-3H3/b10-9+

InChI Key

LZRBSRFCMYHGGG-MDZDMXLPSA-N

Formula

C15H24O5

SMILES

CCCCCCCOC(=O)C=CC(=O)OC(C)C(C)=O

Molecular Weight¹

284.35

• 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	[342.97; 768.39]	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			3.15660e+01
Coefficient B			1.31716e+00
Coefficient C			-6.71300e-04
Coefficient D			9.09600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	342.97	J/mol×K	273.00	Calculated Property
Cp,gas	417.56	J/mol×K	353.78	Calculated Property
Cp,gas	484.64	J/mol×K	434.56	Calculated Property
Cp,gas	544.51	J/mol×K	515.33	Calculated Property
Cp,gas	597.46	J/mol×K	596.11	Calculated Property
Cp,gas	643.77	J/mol×K	676.89	Calculated Property
Cp,gas	683.73	J/mol×K	757.67	Calculated Property
Cp,gas	717.63	J/mol×K	838.44	Calculated Property
Cp,gas	745.75	J/mol×K	919.22	Calculated Property
Cp,gas	768.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022839; 0.0001106]	Pa×s	[373.32; 631.82]	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			-1.34818e+01
Coefficient B			2.76253e+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.			373.32
Temperature range, max.			631.82
η	0.0022839	Pa×s	373.32	Calculated Property
η	0.0013461	Pa×s	402.04	Calculated Property
η	0.0008513	Pa×s	430.76	Calculated Property
η	0.0005702	Pa×s	459.49	Calculated Property
η	0.0004003	Pa×s	488.21	Calculated Property
η	0.0002923	Pa×s	516.93	Calculated Property
η	0.0002206	Pa×s	545.65	Calculated Property
η	0.0001713	Pa×s	574.37	Calculated Property
η	0.0001362	Pa×s	603.10	Calculated Property
η	0.0001106	Pa×s	631.82	Calculated Property

Similar Compounds

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

Sources

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

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