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

InChI

InChI=1S/C13H4Cl5FO2/c14-6-3-1-2-5(11(6)19)13(20)21-12-8(16)4-7(15)9(17)10(12)18/h1-4H

InChI Key

VWPZGMVLINDTQY-UHFFFAOYSA-N

Formula

C13H4Cl5FO2

SMILES

O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1cccc(Cl)c1F

Molecular Weight¹

388.43

• 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°	-262.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-427.02	kJ/mol	Joback Calculated Property
ΔfusH°	42.03	kJ/mol	Joback Calculated Property
ΔvapH°	83.32	kJ/mol	Joback Calculated Property
log10WS	-7.32		Crippen Calculated Property
logPoct/wat	6.312		Crippen Calculated Property
McVol	216.920	ml/mol	McGowan Calculated Property
Pc	2315.84	kPa	Joback Calculated Property
Inp	[2541.00; 2541.00]
Inp	2541.00		NIST
Inp	2541.00		NIST
Tboil	842.79	K	Joback Calculated Property
Tc	1094.87	K	Joback Calculated Property
Tfus	586.58	K	Joback Calculated Property
Vc	0.835	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[467.45; 498.96]	J/mol×K	[842.79; 1094.87]
Cp,gas	467.45	J/mol×K	842.79	Joback Calculated Property
Cp,gas	474.84	J/mol×K	884.80	Joback Calculated Property
Cp,gas	481.35	J/mol×K	926.82	Joback Calculated Property
Cp,gas	487.01	J/mol×K	968.83	Joback Calculated Property
Cp,gas	491.82	J/mol×K	1010.85	Joback Calculated Property
Cp,gas	495.80	J/mol×K	1052.86	Joback Calculated Property
Cp,gas	498.96	J/mol×K	1094.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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