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

InChI

InChI=1S/C27H46O4/c1-6-8-9-16-22-30-26(28)18-14-12-10-11-13-15-19-27(29)31-25(21-20-23(3)4)24(5)17-7-2/h24-25H,3,6-19,22H2,1-2,4-5H3

InChI Key

FEZRBCQYTMBKCJ-UHFFFAOYSA-N

Formula

C27H46O4

SMILES

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

Molecular Weight¹

434.66

• 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	[1324.88; 1418.06]	J/mol×K	[974.42; 1194.01]
Cp,gas	1324.88	J/mol×K	974.42	Joback Calculated Property
Cp,gas	1344.12	J/mol×K	1011.02	Joback Calculated Property
Cp,gas	1361.81	J/mol×K	1047.62	Joback Calculated Property
Cp,gas	1377.99	J/mol×K	1084.22	Joback Calculated Property
Cp,gas	1392.72	J/mol×K	1120.82	Joback Calculated Property
Cp,gas	1406.06	J/mol×K	1157.41	Joback Calculated Property
Cp,gas	1418.06	J/mol×K	1194.01	Joback Calculated Property

Similar Compounds

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