Chemical Properties of Glutaric acid, cis-hex-3-enyl heptadecyl ester

InChI

InChI=1S/C28H52O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-26-32-28(30)24-22-23-27(29)31-25-20-8-6-4-2/h6,8H,3-5,7,9-26H2,1-2H3/b8-6+

InChI Key

MQBFZKRXBICJAR-VURMDHGXSA-N

Formula

C28H52O4

SMILES

CC/C=C\CCOC(=O)CCCC(=O)OCCCCCCCCCCCCCCCCC

Molecular Weight¹

452.72

• 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).
• 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).
• 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 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	[618.14; 1449.51]	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			1.40720e+01
Coefficient B			2.57424e+00
Coefficient C			-1.39400e-03
Coefficient D			2.55200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	618.14	J/mol×K	273.00	Calculated Property
Cp,gas	761.61	J/mol×K	353.78	Calculated Property
Cp,gas	890.42	J/mol×K	434.56	Calculated Property
Cp,gas	1005.39	J/mol×K	515.33	Calculated Property
Cp,gas	1107.31	J/mol×K	596.11	Calculated Property
Cp,gas	1196.99	J/mol×K	676.89	Calculated Property
Cp,gas	1275.25	J/mol×K	757.67	Calculated Property
Cp,gas	1342.88	J/mol×K	838.44	Calculated Property
Cp,gas	1400.70	J/mol×K	919.22	Calculated Property
Cp,gas	1449.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004606; 0.0000192]	Pa×s	[484.90; 830.53]	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			-1.53187e+01
Coefficient B			3.70260e+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.			484.90
Temperature range, max.			830.53
η	0.0004606	Pa×s	484.90	Calculated Property
η	0.0002630	Pa×s	523.30	Calculated Property
η	0.0001621	Pa×s	561.71	Calculated Property
η	0.0001063	Pa×s	600.11	Calculated Property
η	0.0000734	Pa×s	638.51	Calculated Property
η	0.0000528	Pa×s	676.91	Calculated Property
η	0.0000394	Pa×s	715.32	Calculated Property
η	0.0000302	Pa×s	753.72	Calculated Property
η	0.0000238	Pa×s	792.12	Calculated Property
η	0.0000192	Pa×s	830.53	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cis-hex-3-enyl heptadecyl ester.

Sources

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

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