Chemical Properties of 4-Fluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C13H5Cl4FO2/c14-8-5-9(15)12(11(17)10(8)16)20-13(19)6-1-3-7(18)4-2-6/h1-5H

InChI Key

SUOCUSXFDYKBMD-UHFFFAOYSA-N

Formula

C13H5Cl4FO2

SMILES

O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1ccc(F)cc1

Molecular Weight¹

353.99

• 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°	-241.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-399.81	kJ/mol	Joback Calculated Property
ΔfusH°	38.22	kJ/mol	Joback Calculated Property
ΔvapH°	78.27	kJ/mol	Joback Calculated Property
log10WS	-6.63		Crippen Calculated Property
logPoct/wat	5.659		Crippen Calculated Property
McVol	204.680	ml/mol	McGowan Calculated Property
Pc	2436.25	kPa	Joback Calculated Property
Inp	[2293.00; 2293.00]
Inp	2293.00		NIST
Inp	2293.00		NIST
Tboil	800.38	K	Joback Calculated Property
Tc	1049.98	K	Joback Calculated Property
Tfus	544.14	K	Joback Calculated Property
Vc	0.785	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[452.35; 490.68]	J/mol×K	[800.38; 1049.98]
Cp,gas	452.35	J/mol×K	800.38	Joback Calculated Property
Cp,gas	460.90	J/mol×K	841.98	Joback Calculated Property
Cp,gas	468.57	J/mol×K	883.58	Joback Calculated Property
Cp,gas	475.35	J/mol×K	925.18	Joback Calculated Property
Cp,gas	481.29	J/mol×K	966.78	Joback Calculated Property
Cp,gas	486.39	J/mol×K	1008.38	Joback Calculated Property
Cp,gas	490.68	J/mol×K	1049.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester.

Sources

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

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