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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7727		Relay (1.0) Calculated Property
ΔfG°	-98.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-385.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.96	kJ/mol	Joback Calculated Property
ΔvapH°	110.06	kJ/mol	Relay (1.0) 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
Pc	2083.12	kPa	Joback Calculated Property
Inp	[2581.00; 2581.00]
Inp	2581.00		NIST
Inp	2581.00		NIST
Tboil	682.35	K	Relay (1.0) Calculated Property
Tc	964.69	K	Relay (1.0) Calculated Property
Tfus	359.18	K	Relay (1.0) Calculated Property
Vc	0.866	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[677.62; 740.04]	J/mol×K	[844.98; 1089.34]
Cp,gas	677.62	J/mol×K	844.98	Joback Calculated Property
Cp,gas	691.37	J/mol×K	885.71	Joback Calculated Property
Cp,gas	703.70	J/mol×K	926.43	Joback Calculated Property
Cp,gas	714.68	J/mol×K	967.16	Joback Calculated Property
Cp,gas	724.36	J/mol×K	1007.89	Joback Calculated Property
Cp,gas	732.79	J/mol×K	1048.62	Joback Calculated Property
Cp,gas	740.04	J/mol×K	1089.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluorobenzoic acid, 4-benzyloxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• 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.