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

InChI

InChI=1S/C14H4Cl4F4O2/c15-7-4-8(16)12(11(18)10(7)17)24-13(23)5-1-2-6(9(19)3-5)14(20,21)22/h1-4H

InChI Key

IDXBKJIJQFAJBD-UHFFFAOYSA-N

Formula

C14H4Cl4F4O2

SMILES

O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1ccc(C(F)(F)F)c(F)c1

Molecular Weight¹

421.99

• 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	0.7516		Relay (... Calculated Property
ΔfG°	-824.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1041.00	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.24	kJ/mol	Joback Calculated Property
ΔvapH°	97.23	kJ/mol	Relay (... Calculated Property
IE	9.38	eV	Relay (... Calculated Property
log10WS	-7.51		Relay (... Calculated Property
logPoct/wat	6.677		Crippen Calculated Property
McVol	224.080	ml/mol	McGowan Calculated Property
Pc	1970.05	kPa	Joback Calculated Property
Inp	[2193.00; 2193.00]
Inp	2193.00		NIST
Inp	2193.00		NIST
Tboil	611.81	K	Relay (... Calculated Property
Tc	896.63	K	Relay (... Calculated Property
Tfus	368.51	K	Relay (... Calculated Property
Vc	0.809	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[527.22; 562.60]	J/mol×K	[822.82; 1052.62]
Cp,gas	527.22	J/mol×K	822.82	Joback Calculated Property
Cp,gas	534.94	J/mol×K	861.12	Joback Calculated Property
Cp,gas	541.88	J/mol×K	899.42	Joback Calculated Property
Cp,gas	548.07	J/mol×K	937.72	Joback Calculated Property
Cp,gas	553.56	J/mol×K	976.02	Joback Calculated Property
Cp,gas	558.39	J/mol×K	1014.32	Joback Calculated Property
Cp,gas	562.60	J/mol×K	1052.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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