Chemical Properties of Glutaric acid, trans-hex-3-enyl tridecyl ester

InChI

InChI=1S/C24H44O4/c1-3-5-7-9-10-11-12-13-14-15-17-22-28-24(26)20-18-19-23(25)27-21-16-8-6-4-2/h6,8H,3-5,7,9-22H2,1-2H3/b8-6+

InChI Key

FKXYPIIZXAKLGR-SOFGYWHQSA-N

Formula

C24H44O4

SMILES

CCC=CCCOC(=O)CCCC(=O)OCCCCCCCCCCCCC

Molecular Weight¹

396.60

• 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	[533.28; 1243.15]	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			1.77080e+01
Coefficient B			2.19424e+00
Coefficient C			-1.17640e-03
Coefficient D			2.07600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	533.28	J/mol×K	273.00	Calculated Property
Cp,gas	655.94	J/mol×K	353.78	Calculated Property
Cp,gas	766.11	J/mol×K	434.56	Calculated Property
Cp,gas	864.47	J/mol×K	515.33	Calculated Property
Cp,gas	951.66	J/mol×K	596.11	Calculated Property
Cp,gas	1028.35	J/mol×K	676.89	Calculated Property
Cp,gas	1095.18	J/mol×K	757.67	Calculated Property
Cp,gas	1152.82	J/mol×K	838.44	Calculated Property
Cp,gas	1201.93	J/mol×K	919.22	Calculated Property
Cp,gas	1243.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008309; 0.0000375]	Pa×s	[439.82; 745.06]	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			-1.46550e+01
Coefficient B			3.32596e+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.			439.82
Temperature range, max.			745.06
η	0.0008309	Pa×s	439.82	Calculated Property
η	0.0004836	Pa×s	473.74	Calculated Property
η	0.0003025	Pa×s	507.65	Calculated Property
η	0.0002007	Pa×s	541.57	Calculated Property
η	0.0001398	Pa×s	575.48	Calculated Property
η	0.0001013	Pa×s	609.40	Calculated Property
η	0.0000760	Pa×s	643.31	Calculated Property
η	0.0000587	Pa×s	677.23	Calculated Property
η	0.0000464	Pa×s	711.15	Calculated Property
η	0.0000375	Pa×s	745.06	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, trans-hex-3-enyl tridecyl ester.

Sources

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

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