Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 3-fluorophenyl ester

InChI

InChI=1S/C24H33FO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-28-23(26)17-14-18-24(27)29-22-16-13-15-21(25)20-22/h13,15-16,20H,2-10,14,17-19H2,1H3

InChI Key

NRXBCZOPLLOXPX-UHFFFAOYSA-N

Formula

C24H33FO4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1cccc(F)c1

Molecular Weight¹

404.51

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[1057.78; 1133.01]	J/mol×K	[905.09; 1111.49]
Cp,gas	1057.78	J/mol×K	905.09	Joback Calculated Property
Cp,gas	1073.58	J/mol×K	939.49	Joback Calculated Property
Cp,gas	1088.03	J/mol×K	973.89	Joback Calculated Property
Cp,gas	1101.16	J/mol×K	1008.29	Joback Calculated Property
Cp,gas	1113.01	J/mol×K	1042.69	Joback Calculated Property
Cp,gas	1123.61	J/mol×K	1077.09	Joback Calculated Property
Cp,gas	1133.01	J/mol×K	1111.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 3-fluorophenyl 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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