Chemical Properties of 4-Fluorobenzoic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C20H15FO3/c21-17-8-6-16(7-9-17)20(22)24-19-12-10-18(11-13-19)23-14-15-4-2-1-3-5-15/h1-13H,14H2

InChI Key

HENSJJMDUPRVGC-UHFFFAOYSA-N

Formula

C20H15FO3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1

Molecular Weight¹

322.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
ΔfH°gas	-385.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.54	kJ/mol	Joback Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-5.58		Relay (1.0) Calculated Property
logPoct/wat	4.624		Crippen Calculated Property
McVol	236.460	ml/mol	McGowan Calculated Property
Inp	[2581.00; 2581.00]
Inp	2581.00		NIST
Inp	2581.00		NIST
Tboil	682.35	K	Relay (1.0) Calculated Property
Tfus	355.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[673.59; 736.33]	J/mol×K	[827.11; 1070.12]
Cp,gas	673.59	J/mol×K	827.11	Joback Calculated Property
Cp,gas	687.55	J/mol×K	867.61	Joback Calculated Property
Cp,gas	700.03	J/mol×K	908.11	Joback Calculated Property
Cp,gas	711.09	J/mol×K	948.61	Joback Calculated Property
Cp,gas	720.79	J/mol×K	989.11	Joback Calculated Property
Cp,gas	729.18	J/mol×K	1029.62	Joback Calculated Property
Cp,gas	736.33	J/mol×K	1070.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluorobenzoic 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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