Chemical Properties of Fumaric acid, isobutyl pent-4-en-2-yl ester

InChI

InChI=1S/C13H20O4/c1-5-6-11(4)17-13(15)8-7-12(14)16-9-10(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3/b8-7+

InChI Key

WXNYTZSPSXNNFE-BQYQJAHWSA-N

Formula

C13H20O4

SMILES

C=CCC(C)OC(=O)C=CC(=O)OCC(C)C

Molecular Weight¹

240.30

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, 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	[289.49; 648.21]	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			2.13520e+01
Coefficient B			1.14106e+00
Coefficient C			-6.07300e-04
Coefficient D			9.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.49	J/mol×K	273.00	Calculated Property
Cp,gas	353.15	J/mol×K	353.78	Calculated Property
Cp,gas	410.16	J/mol×K	434.56	Calculated Property
Cp,gas	460.84	J/mol×K	515.33	Calculated Property
Cp,gas	505.47	J/mol×K	596.11	Calculated Property
Cp,gas	544.34	J/mol×K	676.89	Calculated Property
Cp,gas	577.76	J/mol×K	757.67	Calculated Property
Cp,gas	606.02	J/mol×K	838.44	Calculated Property
Cp,gas	629.40	J/mol×K	919.22	Calculated Property
Cp,gas	648.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0067400; 0.0001247]	Pa×s	[284.09; 559.93]	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			-1.30981e+01
Coefficient B			2.30068e+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.			284.09
Temperature range, max.			559.93
η	0.0067400	Pa×s	284.09	Calculated Property
η	0.0030632	Pa×s	314.74	Calculated Property
η	0.0016013	Pa×s	345.39	Calculated Property
η	0.0009304	Pa×s	376.04	Calculated Property
η	0.0005867	Pa×s	406.68	Calculated Property
η	0.0003947	Pa×s	437.33	Calculated Property
η	0.0002797	Pa×s	467.98	Calculated Property
η	0.0002067	Pa×s	498.63	Calculated Property
η	0.0001583	Pa×s	529.28	Calculated Property
η	0.0001247	Pa×s	559.93	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, isobutyl pent-4-en-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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