Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-cyanophenyl ester

InChI

InChI=1S/C15H13F4NO4/c16-14(17)15(18,19)9-23-12(21)2-1-3-13(22)24-11-6-4-10(8-20)5-7-11/h4-7,14H,1-3,9H2

InChI Key

TYAQIQMCBDWRMY-UHFFFAOYSA-N

Formula

C15H13F4NO4

SMILES

N#Cc1ccc(OC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc1

Molecular Weight¹

347.26

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[641.97; 691.86]	J/mol×K	[786.39; 983.81]
Cp,gas	641.97	J/mol×K	786.39	Joback Calculated Property
Cp,gas	652.51	J/mol×K	819.29	Joback Calculated Property
Cp,gas	662.12	J/mol×K	852.20	Joback Calculated Property
Cp,gas	670.83	J/mol×K	885.10	Joback Calculated Property
Cp,gas	678.67	J/mol×K	918.00	Joback Calculated Property
Cp,gas	685.67	J/mol×K	950.91	Joback Calculated Property
Cp,gas	691.86	J/mol×K	983.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-cyanophenyl 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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