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

InChI

InChI=1S/C18H30O4/c1-4-6-7-8-9-10-11-15-21-17(19)13-14-18(20)22-16(3)12-5-2/h5,13-14,16H,2,4,6-12,15H2,1,3H3/b14-13+

InChI Key

UAVIVXAGEACBPZ-BUHFOSPRSA-N

Formula

C18H30O4

SMILES

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

Molecular Weight¹

310.43

• 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	[395.88; 905.63]	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			1.84890e+01
Coefficient B			1.61014e+00
Coefficient C			-8.76100e-04
Coefficient D			1.53100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	395.88	J/mol×K	273.00	Calculated Property
Cp,gas	485.25	J/mol×K	353.78	Calculated Property
Cp,gas	565.31	J/mol×K	434.56	Calculated Property
Cp,gas	636.54	J/mol×K	515.33	Calculated Property
Cp,gas	699.42	J/mol×K	596.11	Calculated Property
Cp,gas	754.45	J/mol×K	676.89	Calculated Property
Cp,gas	802.10	J/mol×K	757.67	Calculated Property
Cp,gas	842.85	J/mol×K	838.44	Calculated Property
Cp,gas	877.20	J/mol×K	919.22	Calculated Property
Cp,gas	905.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024489; 0.0000825]	Pa×s	[355.44; 635.64]	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			-1.37030e+01
Coefficient B			2.73366e+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.			355.44
Temperature range, max.			635.64
η	0.0024489	Pa×s	355.44	Calculated Property
η	0.0013182	Pa×s	386.57	Calculated Property
η	0.0007782	Pa×s	417.71	Calculated Property
η	0.0004942	Pa×s	448.84	Calculated Property
η	0.0003329	Pa×s	479.97	Calculated Property
η	0.0002353	Pa×s	511.11	Calculated Property
η	0.0001731	Pa×s	542.24	Calculated Property
η	0.0001317	Pa×s	573.37	Calculated Property
η	0.0001030	Pa×s	604.51	Calculated Property
η	0.0000825	Pa×s	635.64	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, nonyl 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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