Chemical Properties of Fumaric acid, heptyl 3-heptyl ester

InChI

InChI=1S/C18H32O4/c1-4-7-9-10-11-15-21-17(19)13-14-18(20)22-16(6-3)12-8-5-2/h13-14,16H,4-12,15H2,1-3H3/b14-13+

InChI Key

JENQPLKFOHXXFU-BUHFOSPRSA-N

Formula

C18H32O4

SMILES

CCCCCCCOC(=O)/C=C/C(=O)OC(CC)CCCC

Molecular Weight¹

312.45

• 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	[405.69; 934.14]	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			2.14800e+01
Coefficient B			1.63016e+00
Coefficient C			-8.53200e-04
Coefficient D			1.35700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	405.69	J/mol×K	273.00	Calculated Property
Cp,gas	497.42	J/mol×K	353.78	Calculated Property
Cp,gas	579.89	J/mol×K	434.56	Calculated Property
Cp,gas	653.54	J/mol×K	515.33	Calculated Property
Cp,gas	718.80	J/mol×K	596.11	Calculated Property
Cp,gas	776.08	J/mol×K	676.89	Calculated Property
Cp,gas	825.83	J/mol×K	757.67	Calculated Property
Cp,gas	868.47	J/mol×K	838.44	Calculated Property
Cp,gas	904.43	J/mol×K	919.22	Calculated Property
Cp,gas	934.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024834; 0.0000796]	Pa×s	[357.20; 636.90]	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			-1.38336e+01
Coefficient B			2.79882e+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.			357.20
Temperature range, max.			636.90
η	0.0024834	Pa×s	357.20	Calculated Property
η	0.0013264	Pa×s	388.28	Calculated Property
η	0.0007775	Pa×s	419.36	Calculated Property
η	0.0004906	Pa×s	450.43	Calculated Property
η	0.0003285	Pa×s	481.51	Calculated Property
η	0.0002309	Pa×s	512.59	Calculated Property
η	0.0001690	Pa×s	543.67	Calculated Property
η	0.0001279	Pa×s	574.74	Calculated Property
η	0.0000997	Pa×s	605.82	Calculated Property
η	0.0000796	Pa×s	636.90	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, heptyl 3-heptyl ester.

Sources

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

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