Chemical Properties of Fumaric acid, octyl pent-4-enyl ester

InChI

InChI=1S/C17H28O4/c1-3-5-7-8-9-11-15-21-17(19)13-12-16(18)20-14-10-6-4-2/h4,12-13H,2-3,5-11,14-15H2,1H3/b13-12+

InChI Key

KBNAFOHVDNHYOS-OUKQBFOZSA-N

Formula

C17H28O4

SMILES

C=CCCCOC(=O)/C=C/C(=O)OCCCCCCCC

Molecular Weight¹

296.41

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.98; 853.50]	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			2.10800e+01
Coefficient B			1.50922e+00
Coefficient C			-8.18500e-04
Coefficient D			1.41700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.98	J/mol×K	273.00	Calculated Property
Cp,gas	458.84	J/mol×K	353.78	Calculated Property
Cp,gas	533.98	J/mol×K	434.56	Calculated Property
Cp,gas	600.86	J/mol×K	515.33	Calculated Property
Cp,gas	659.91	J/mol×K	596.11	Calculated Property
Cp,gas	711.58	J/mol×K	676.89	Calculated Property
Cp,gas	756.33	J/mol×K	757.67	Calculated Property
Cp,gas	794.60	J/mol×K	838.44	Calculated Property
Cp,gas	826.84	J/mol×K	919.22	Calculated Property
Cp,gas	853.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020856; 0.0001002]	Pa×s	[359.17; 618.33]	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			-1.34163e+01
Coefficient B			2.60168e+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.			359.17
Temperature range, max.			618.33
η	0.0020856	Pa×s	359.17	Calculated Property
η	0.0012183	Pa×s	387.97	Calculated Property
η	0.0007665	Pa×s	416.76	Calculated Property
η	0.0005120	Pa×s	445.56	Calculated Property
η	0.0003592	Pa×s	474.35	Calculated Property
η	0.0002624	Pa×s	503.15	Calculated Property
η	0.0001984	Pa×s	531.95	Calculated Property
η	0.0001543	Pa×s	560.74	Calculated Property
η	0.0001230	Pa×s	589.54	Calculated Property
η	0.0001002	Pa×s	618.33	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, octyl pent-4-enyl ester.

Sources

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

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