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

InChI

InChI=1S/C13H20O4/c1-4-6-10-16-12(14)8-9-13(15)17-11(3)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3/b9-8+

InChI Key

AOMRYLNKFIOIRO-CMDGGOBGSA-N

Formula

C13H20O4

SMILES

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

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).
• 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, Log10 of Water solubility in mol/l 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	[289.81; 647.67]	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			2.30340e+01
Coefficient B			1.13514e+00
Coefficient C			-6.04100e-04
Coefficient D			9.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.81	J/mol×K	273.00	Calculated Property
Cp,gas	353.16	J/mol×K	353.78	Calculated Property
Cp,gas	409.92	J/mol×K	434.56	Calculated Property
Cp,gas	460.39	J/mol×K	515.33	Calculated Property
Cp,gas	504.86	J/mol×K	596.11	Calculated Property
Cp,gas	543.64	J/mol×K	676.89	Calculated Property
Cp,gas	577.01	J/mol×K	757.67	Calculated Property
Cp,gas	605.28	J/mol×K	838.44	Calculated Property
Cp,gas	628.73	J/mol×K	919.22	Calculated Property
Cp,gas	647.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045243; 0.0001352]	Pa×s	[299.09; 558.00]	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			-1.29641e+01
Coefficient B			2.26286e+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.			299.09
Temperature range, max.			558.00
η	0.0045243	Pa×s	299.09	Calculated Property
η	0.0023294	Pa×s	327.86	Calculated Property
η	0.0013349	Pa×s	356.62	Calculated Property
η	0.0008313	Pa×s	385.39	Calculated Property
η	0.0005529	Pa×s	414.16	Calculated Property
η	0.0003877	Pa×s	442.93	Calculated Property
η	0.0002839	Pa×s	471.69	Calculated Property
η	0.0002155	Pa×s	500.46	Calculated Property
η	0.0001685	Pa×s	529.23	Calculated Property
η	0.0001352	Pa×s	558.00	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.