Chemical Properties of Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester

InChI

InChI=1S/C24H40O4/c1-6-14-21(5)22(18-17-20(3)4)28-24(26)16-13-11-9-8-10-12-15-23(25)27-19-7-2/h21-22H,3,6-16,19H2,1-2,4-5H3

InChI Key

CZHFIUYROWYSGZ-UHFFFAOYSA-N

Formula

C24H40O4

SMILES

C=C(C)C#CC(OC(=O)CCCCCCCCC(=O)OCCC)C(C)CCC

Molecular Weight¹

392.58

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1136.37; 1227.20]	J/mol×K	[905.78; 1110.14]
Cp,gas	1136.37	J/mol×K	905.78	Joback Calculated Property
Cp,gas	1154.62	J/mol×K	939.84	Joback Calculated Property
Cp,gas	1171.58	J/mol×K	973.90	Joback Calculated Property
Cp,gas	1187.28	J/mol×K	1007.96	Joback Calculated Property
Cp,gas	1201.76	J/mol×K	1042.02	Joback Calculated Property
Cp,gas	1215.06	J/mol×K	1076.08	Joback Calculated Property
Cp,gas	1227.20	J/mol×K	1110.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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