Chemical Properties of Pentadecafluorooctanoic acid, cyclohexylmethyl ester

InChI

InChI=1S/C15H13F15O2/c16-9(17,8(31)32-6-7-4-2-1-3-5-7)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7H,1-6H2

InChI Key

QOGLORBQBFFERD-UHFFFAOYSA-N

Formula

C15H13F15O2

SMILES

O=C(OCC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

510.24

• 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.
• 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, 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	[743.73; 824.21]	J/mol×K	[587.01; 736.31]
Cp,gas	743.73	J/mol×K	587.01	Joback Calculated Property
Cp,gas	759.81	J/mol×K	611.89	Joback Calculated Property
Cp,gas	774.73	J/mol×K	636.78	Joback Calculated Property
Cp,gas	788.56	J/mol×K	661.66	Joback Calculated Property
Cp,gas	801.38	J/mol×K	686.54	Joback Calculated Property
Cp,gas	813.24	J/mol×K	711.43	Joback Calculated Property
Cp,gas	824.21	J/mol×K	736.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, cyclohexylmethyl 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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