Chemical Properties of 4-Butylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C16H16F8O2/c1-2-3-4-10-5-7-11(8-6-10)12(25)26-9-14(19,20)16(23,24)15(21,22)13(17)18/h5-8,13H,2-4,9H2,1H3

InChI Key

LYIBRZAOIWKJFF-UHFFFAOYSA-N

Formula

C16H16F8O2

SMILES

CCCCc1ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1

Molecular Weight¹

392.29

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[671.77; 743.42]	J/mol×K	[657.46; 828.12]
Cp,gas	671.77	J/mol×K	657.46	Joback Calculated Property
Cp,gas	685.79	J/mol×K	685.90	Joback Calculated Property
Cp,gas	698.91	J/mol×K	714.35	Joback Calculated Property
Cp,gas	711.18	J/mol×K	742.79	Joback Calculated Property
Cp,gas	722.66	J/mol×K	771.24	Joback Calculated Property
Cp,gas	733.38	J/mol×K	799.68	Joback Calculated Property
Cp,gas	743.42	J/mol×K	828.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Butylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 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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