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

InChI

InChI=1S/C28H48O4/c1-6-8-9-10-11-12-13-14-15-16-23-31-27(29)19-17-20-28(30)32-26(22-21-24(3)4)25(5)18-7-2/h25-26H,3,6-20,23H2,1-2,4-5H3

InChI Key

YEYORMVWJHRRKB-UHFFFAOYSA-N

Formula

C28H48O4

SMILES

C=C(C)C#CC(OC(=O)CCCC(=O)OCCCCCCCCCCCC)C(C)CCC

Molecular Weight¹

448.68

• 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	[1388.63; 1482.64]	J/mol×K	[997.30; 1224.10]
Cp,gas	1388.63	J/mol×K	997.30	Joback Calculated Property
Cp,gas	1408.27	J/mol×K	1035.10	Joback Calculated Property
Cp,gas	1426.24	J/mol×K	1072.90	Joback Calculated Property
Cp,gas	1442.60	J/mol×K	1110.70	Joback Calculated Property
Cp,gas	1457.41	J/mol×K	1148.50	Joback Calculated Property
Cp,gas	1470.74	J/mol×K	1186.30	Joback Calculated Property
Cp,gas	1482.64	J/mol×K	1224.10	Joback Calculated Property

Similar Compounds

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

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