Chemical Properties of Pentafluoropropanoic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C16H11F5O3/c17-15(18,16(19,20)21)14(22)24-13-8-6-12(7-9-13)23-10-11-4-2-1-3-5-11/h1-9H,10H2

InChI Key

ZOQSBSNUTWFGEI-UHFFFAOYSA-N

Formula

C16H11F5O3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)C(F)(F)C(F)(F)F

Molecular Weight¹

346.25

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.44	kJ/mol	Joback Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
logPoct/wat	4.369		Crippen Calculated Property
McVol	210.940	ml/mol	McGowan Calculated Property
Inp	[1720.00; 1720.00]
Inp	1720.00		NIST
Inp	1720.00		NIST
Tboil	582.95	K	Relay (1.0) Calculated Property
Tfus	315.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[589.04; 652.56]	J/mol×K	[712.42; 920.20]
Cp,gas	589.04	J/mol×K	712.42	Joback Calculated Property
Cp,gas	602.09	J/mol×K	747.05	Joback Calculated Property
Cp,gas	614.08	J/mol×K	781.68	Joback Calculated Property
Cp,gas	625.05	J/mol×K	816.31	Joback Calculated Property
Cp,gas	635.08	J/mol×K	850.94	Joback Calculated Property
Cp,gas	644.22	J/mol×K	885.57	Joback Calculated Property
Cp,gas	652.56	J/mol×K	920.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentafluoropropanoic acid, 4-benzyloxyphenyl 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.
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