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

InChI

InChI=1S/C15H24O4/c1-4-6-7-8-12-18-14(16)10-11-15(17)19-13(3)9-5-2/h5,10-11,13H,2,4,6-9,12H2,1,3H3/b11-10+

InChI Key

GFBDACUBDXBCIW-ZHACJKMWSA-N

Formula

C15H24O4

SMILES

C=CCC(C)OC(=O)/C=C/C(=O)OCCCCCC

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).
• 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	[332.24; 750.86]	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			2.12160e+01
Coefficient B			1.32514e+00
Coefficient C			-7.12900e-04
Coefficient D			1.17400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	332.24	J/mol×K	273.00	Calculated Property
Cp,gas	405.99	J/mol×K	353.78	Calculated Property
Cp,gas	472.07	J/mol×K	434.56	Calculated Property
Cp,gas	530.85	J/mol×K	515.33	Calculated Property
Cp,gas	582.69	J/mol×K	596.11	Calculated Property
Cp,gas	627.96	J/mol×K	676.89	Calculated Property
Cp,gas	667.05	J/mol×K	757.67	Calculated Property
Cp,gas	700.31	J/mol×K	838.44	Calculated Property
Cp,gas	728.12	J/mol×K	919.22	Calculated Property
Cp,gas	750.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035865; 0.0001134]	Pa×s	[321.63; 588.20]	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			-1.32517e+01
Coefficient B			2.45118e+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.			321.63
Temperature range, max.			588.20
η	0.0035865	Pa×s	321.63	Calculated Property
η	0.0018861	Pa×s	351.25	Calculated Property
η	0.0010962	Pa×s	380.87	Calculated Property
η	0.0006890	Pa×s	410.49	Calculated Property
η	0.0004610	Pa×s	440.11	Calculated Property
η	0.0003245	Pa×s	469.73	Calculated Property
η	0.0002381	Pa×s	499.35	Calculated Property
η	0.0001809	Pa×s	528.96	Calculated Property
η	0.0001415	Pa×s	558.58	Calculated Property
η	0.0001134	Pa×s	588.20	Calculated Property

Similar Compounds

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

Sources

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

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