Chemical Properties of Fumaric acid, cis-hex-3-enyl pentyl ester

InChI

InChI=1S/C15H24O4/c1-3-5-7-9-13-19-15(17)11-10-14(16)18-12-8-6-4-2/h5,7,10-11H,3-4,6,8-9,12-13H2,1-2H3/b7-5-,11-10+

InChI Key

TXYAUZAXQBGEJS-OLCNXZRBSA-N

Formula

C15H24O4

SMILES

CCC=CCCOC(=O)C=CC(=O)OCCCCC

Molecular Weight¹

268.35

• 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).
• 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).
• 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 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	[328.36; 748.25]	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			1.17070e+01
Coefficient B			1.35924e+00
Coefficient C			-7.70600e-04
Coefficient D			1.47900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	328.36	J/mol×K	273.00	Calculated Property
Cp,gas	402.68	J/mol×K	353.78	Calculated Property
Cp,gas	468.99	J/mol×K	434.56	Calculated Property
Cp,gas	527.76	J/mol×K	515.33	Calculated Property
Cp,gas	579.46	J/mol×K	596.11	Calculated Property
Cp,gas	624.56	J/mol×K	676.89	Calculated Property
Cp,gas	663.52	J/mol×K	757.67	Calculated Property
Cp,gas	696.81	J/mol×K	838.44	Calculated Property
Cp,gas	724.89	J/mol×K	919.22	Calculated Property
Cp,gas	748.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025392; 0.0001001]	Pa×s	[333.31; 594.17]	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			-1.33407e+01
Coefficient B			2.45476e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			333.31
Temperature range, max.			594.17
η	0.0025392	Pa×s	333.31	Calculated Property
η	0.0014087	Pa×s	362.29	Calculated Property
η	0.0008528	Pa×s	391.28	Calculated Property
η	0.0005533	Pa×s	420.26	Calculated Property
η	0.0003795	Pa×s	449.25	Calculated Property
η	0.0002725	Pa×s	478.23	Calculated Property
η	0.0002033	Pa×s	507.22	Calculated Property
η	0.0001565	Pa×s	536.20	Calculated Property
η	0.0001237	Pa×s	565.19	Calculated Property
η	0.0001001	Pa×s	594.17	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, cis-hex-3-enyl pentyl ester.

Sources

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

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