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

InChI

InChI=1S/C14H6Cl2F4O2/c15-9-2-1-3-11(12(9)16)22-13(21)8-6-7(14(18,19)20)4-5-10(8)17/h1-6H

InChI Key

WPODOPQVUWUHAY-UHFFFAOYSA-N

Formula

C14H6Cl2F4O2

SMILES

O=C(Oc1cccc(Cl)c1Cl)c1cc(C(F)(F)F)ccc1F

Molecular Weight¹

353.10

Other Names

• 6-Fluoro-3-trifluorobenzoic acid, 2,3-dichlorophenyl ester

• 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	0.6744		Relay (1.0) Calculated Property
ΔfG°	-780.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1024.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.63	kJ/mol	Joback Calculated Property
ΔvapH°	86.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-6.16		Relay (1.0) Calculated Property
logPoct/wat	5.370		Crippen Calculated Property
McVol	199.600	ml/mol	McGowan Calculated Property
Pc	2165.35	kPa	Joback Calculated Property
Inp	[1902.00; 1902.00]
Inp	1902.00		NIST
Inp	1902.00		NIST
Tboil	590.75	K	Relay (1.0) Calculated Property
Tc	859.10	K	Relay (1.0) Calculated Property
Tfus	356.68	K	Relay (1.0) Calculated Property
Vc	0.721	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[492.48; 540.44]	J/mol×K	[738.00; 960.76]
Cp,gas	492.48	J/mol×K	738.00	Joback Calculated Property
Cp,gas	502.52	J/mol×K	775.13	Joback Calculated Property
Cp,gas	511.67	J/mol×K	812.25	Joback Calculated Property
Cp,gas	520.00	J/mol×K	849.38	Joback Calculated Property
Cp,gas	527.53	J/mol×K	886.51	Joback Calculated Property
Cp,gas	534.33	J/mol×K	923.63	Joback Calculated Property
Cp,gas	540.44	J/mol×K	960.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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