Chemical Properties of 3-Fluorobenzoic acid, 4-benzyloxyphenyl ester

InChI

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

InChI Key

VITWHNCNPZBBSV-UHFFFAOYSA-N

Formula

C20H15FO3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)c1cccc(F)c1

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	0.7716		Relay (1.0) Calculated Property
ΔfG°	-98.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-381.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.96	kJ/mol	Joback Calculated Property
ΔvapH°	108.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-5.68		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	[2586.00; 2586.00]
Inp	2586.00		NIST
Inp	2586.00		NIST
Tboil	677.88	K	Relay (1.0) Calculated Property
Tc	966.74	K	Relay (1.0) Calculated Property
Tfus	344.25	K	Relay (1.0) Calculated Property
Vc	0.867	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 3-Fluorobenzoic acid, 4-benzyloxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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