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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.67; 902.71]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.30889e+02
Coefficient B			2.55370e+00
Coefficient C			-2.22720e-03
Coefficient D			7.07100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	414.67	J/mol×K	273.00	Calculated Property
Cp,gas	525.11	J/mol×K	353.78	Calculated Property
Cp,gas	616.28	J/mol×K	434.56	Calculated Property
Cp,gas	690.41	J/mol×K	515.33	Calculated Property
Cp,gas	749.75	J/mol×K	596.11	Calculated Property
Cp,gas	796.52	J/mol×K	676.89	Calculated Property
Cp,gas	832.97	J/mol×K	757.67	Calculated Property
Cp,gas	861.33	J/mol×K	838.44	Calculated Property
Cp,gas	883.83	J/mol×K	919.22	Calculated Property
Cp,gas	902.71	J/mol×K	1000.00	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

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.
These property values are available through the Cheméo API. A free account gives you an access key.