Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C20H14ClFO3/c21-18-8-4-7-17(19(18)22)20(23)25-16-11-9-15(10-12-16)24-13-14-5-2-1-3-6-14/h1-12H,13H2

InChI Key

BXWPFPGCSCFRHW-UHFFFAOYSA-N

Formula

C20H14ClFO3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1F

Molecular Weight¹

356.77

• 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).
• 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
ΔfG°	-119.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-369.82	kJ/mol	Joback Calculated Property
ΔfusH°	39.76	kJ/mol	Joback Calculated Property
ΔvapH°	84.06	kJ/mol	Joback Calculated Property
log10WS	-6.80		Crippen Calculated Property
logPoct/wat	5.277		Crippen Calculated Property
McVol	248.700	ml/mol	McGowan Calculated Property
Pc	1987.66	kPa	Joback Calculated Property
Inp	[2969.00; 2969.00]
Inp	2969.00		NIST
Inp	2969.00		NIST
Tboil	887.39	K	Joback Calculated Property
Tc	1134.57	K	Joback Calculated Property
Tfus	556.88	K	Joback Calculated Property
Vc	0.941	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[697.95; 750.98]	J/mol×K	[887.39; 1134.57]
Cp,gas	697.95	J/mol×K	887.39	Joback Calculated Property
Cp,gas	710.06	J/mol×K	928.59	Joback Calculated Property
Cp,gas	720.79	J/mol×K	969.78	Joback Calculated Property
Cp,gas	730.19	J/mol×K	1010.98	Joback Calculated Property
Cp,gas	738.32	J/mol×K	1052.18	Joback Calculated Property
Cp,gas	745.24	J/mol×K	1093.38	Joback Calculated Property
Cp,gas	750.98	J/mol×K	1134.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 4-benzyloxyphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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