Chemical Properties of Fumaric acid, heptadecyl 3-hexyl ester

InChI

InChI=1S/C27H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30-26(28)22-23-27(29)31-25(6-3)21-5-2/h22-23,25H,4-21,24H2,1-3H3/b23-22+

InChI Key

OZMLZUDUAQCTTE-GHVJWSGMSA-N

Formula

C27H50O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OC(CC)CCC

Molecular Weight¹

438.69

• 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	[596.61; 1398.46]	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			1.32990e+01
Coefficient B			2.48516e+00
Coefficient C			-1.34280e-03
Coefficient D			2.42800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	596.61	J/mol×K	273.00	Calculated Property
Cp,gas	735.18	J/mol×K	353.78	Calculated Property
Cp,gas	859.59	J/mol×K	434.56	Calculated Property
Cp,gas	970.61	J/mol×K	515.33	Calculated Property
Cp,gas	1069.00	J/mol×K	596.11	Calculated Property
Cp,gas	1155.54	J/mol×K	676.89	Calculated Property
Cp,gas	1230.98	J/mol×K	757.67	Calculated Property
Cp,gas	1296.10	J/mol×K	838.44	Calculated Property
Cp,gas	1351.67	J/mol×K	919.22	Calculated Property
Cp,gas	1398.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006524; 0.0000211]	Pa×s	[458.63; 806.69]	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			-1.52852e+01
Coefficient B			3.64626e+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.			458.63
Temperature range, max.			806.69
η	0.0006524	Pa×s	458.63	Calculated Property
η	0.0003516	Pa×s	497.30	Calculated Property
η	0.0002071	Pa×s	535.98	Calculated Property
η	0.0001310	Pa×s	574.65	Calculated Property
η	0.0000878	Pa×s	613.33	Calculated Property
η	0.0000617	Pa×s	652.00	Calculated Property
η	0.0000451	Pa×s	690.67	Calculated Property
η	0.0000341	Pa×s	729.35	Calculated Property
η	0.0000265	Pa×s	768.02	Calculated Property
η	0.0000211	Pa×s	806.69	Calculated Property

Similar Compounds

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

Sources

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

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