Chemical Properties of Octan-2-yl 2,3,4,5,6-pentafluorobenzoate

InChI

InChI=1S/C15H17F5O2/c1-3-4-5-6-7-8(2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h8H,3-7H2,1-2H3

InChI Key

IWYSQBVZHZVYTO-UHFFFAOYSA-N

Formula

C15H17F5O2

SMILES

CCCCCCC(C)OC(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

324.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[584.70; 655.64]	J/mol×K	[666.38; 838.10]
Cp,gas	584.70	J/mol×K	666.38	Joback Calculated Property
Cp,gas	598.05	J/mol×K	695.00	Joback Calculated Property
Cp,gas	610.79	J/mol×K	723.62	Joback Calculated Property
Cp,gas	622.91	J/mol×K	752.24	Joback Calculated Property
Cp,gas	634.42	J/mol×K	780.86	Joback Calculated Property
Cp,gas	645.33	J/mol×K	809.48	Joback Calculated Property
Cp,gas	655.64	J/mol×K	838.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octan-2-yl 2,3,4,5,6-pentafluorobenzoate.

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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