Chemical Properties of 2,3,4-Trifluorobenzoic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C13H5Cl2F3O2/c14-8-3-1-6(5-9(8)15)20-13(19)7-2-4-10(16)12(18)11(7)17/h1-5H

InChI Key

UKUPWIAAVFOYPQ-UHFFFAOYSA-N

Formula

C13H5Cl2F3O2

SMILES

O=C(Oc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1F

Molecular Weight¹

321.08

• 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°	-606.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-760.55	kJ/mol	Joback Calculated Property
ΔfusH°	35.98	kJ/mol	Joback Calculated Property
ΔvapH°	67.87	kJ/mol	Joback Calculated Property
log10WS	-5.92		Crippen Calculated Property
logPoct/wat	4.630		Crippen Calculated Property
McVol	183.740	ml/mol	McGowan Calculated Property
Pc	2398.22	kPa	Joback Calculated Property
Inp	[1956.00; 1956.00]
Inp	1956.00		NIST
Inp	1956.00		NIST
Tboil	724.06	K	Joback Calculated Property
Tc	949.16	K	Joback Calculated Property
Tfus	485.48	K	Joback Calculated Property
Vc	0.724	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.51; 476.16]	J/mol×K	[724.06; 949.16]
Cp,gas	429.51	J/mol×K	724.06	Joback Calculated Property
Cp,gas	439.20	J/mol×K	761.58	Joback Calculated Property
Cp,gas	448.10	J/mol×K	799.09	Joback Calculated Property
Cp,gas	456.23	J/mol×K	836.61	Joback Calculated Property
Cp,gas	463.61	J/mol×K	874.13	Joback Calculated Property
Cp,gas	470.25	J/mol×K	911.64	Joback Calculated Property
Cp,gas	476.16	J/mol×K	949.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trifluorobenzoic acid, 3,4-dichlorophenyl ester.

Sources

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

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