Chemical Properties of 2,4-Difluorobenzoic acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C13H5Cl3F2O2/c14-8-4-10(16)12(5-9(8)15)20-13(19)7-2-1-6(17)3-11(7)18/h1-5H

InChI Key

JLFBQPLLXJNARA-UHFFFAOYSA-N

Formula

C13H5Cl3F2O2

SMILES

O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1F

Molecular Weight¹

337.53

• 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	0.6902		Relay (1.0) Calculated Property
ΔfG°	-424.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-581.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.10	kJ/mol	Joback Calculated Property
ΔvapH°	96.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-6.62		Relay (1.0) Calculated Property
logPoct/wat	5.144		Crippen Calculated Property
McVol	194.210	ml/mol	McGowan Calculated Property
Pc	2417.12	kPa	Joback Calculated Property
Inp	[2122.00; 2122.00]
Inp	2122.00		NIST
Inp	2122.00		NIST
Tboil	593.64	K	Relay (1.0) Calculated Property
Tc	889.00	K	Relay (1.0) Calculated Property
Tfus	350.61	K	Relay (1.0) Calculated Property
Vc	0.707	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[441.53; 484.18]	J/mol×K	[762.22; 999.55]
Cp,gas	441.53	J/mol×K	762.22	Joback Calculated Property
Cp,gas	450.68	J/mol×K	801.77	Joback Calculated Property
Cp,gas	458.99	J/mol×K	841.33	Joback Calculated Property
Cp,gas	466.48	J/mol×K	880.88	Joback Calculated Property
Cp,gas	473.16	J/mol×K	920.44	Joback Calculated Property
Cp,gas	479.06	J/mol×K	959.99	Joback Calculated Property
Cp,gas	484.18	J/mol×K	999.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Difluorobenzoic acid, 2,4,5-trichlorophenyl ester.

Sources

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

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