Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 2,3-dichlorophenyl ester

InChI

InChI=1S/C15H6Cl2F6O2/c16-10-2-1-3-11(12(10)17)25-13(24)8-6-7(14(18,19)20)4-5-9(8)15(21,22)23/h1-6H

InChI Key

AEXPPHLWESALGS-UHFFFAOYSA-N

Formula

C15H6Cl2F6O2

SMILES

O=C(Oc1cccc(Cl)c1Cl)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

403.10

• 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	0.7232		Relay (... Calculated Property
ΔfG°	-1159.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1478.56	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.96	kJ/mol	Joback Calculated Property
ΔvapH°	88.60	kJ/mol	Relay (... Calculated Property
IE	9.19	eV	Relay (... Calculated Property
log10WS	-6.96		Relay (... Calculated Property
logPoct/wat	6.250		Crippen Calculated Property
McVol	217.230	ml/mol	McGowan Calculated Property
Pc	1864.33	kPa	Joback Calculated Property
Inp	[1870.00; 1870.00]
Inp	1870.00		NIST
Inp	1870.00		NIST
Tboil	594.13	K	Relay (... Calculated Property
Tc	871.02	K	Relay (... Calculated Property
Tfus	367.24	K	Relay (... Calculated Property
Vc	0.804	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.10; 608.64]	J/mol×K	[756.19; 969.40]
Cp,gas	562.10	J/mol×K	756.19	Joback Calculated Property
Cp,gas	571.81	J/mol×K	791.73	Joback Calculated Property
Cp,gas	580.65	J/mol×K	827.26	Joback Calculated Property
Cp,gas	588.69	J/mol×K	862.80	Joback Calculated Property
Cp,gas	595.99	J/mol×K	898.33	Joback Calculated Property
Cp,gas	602.62	J/mol×K	933.87	Joback Calculated Property
Cp,gas	608.64	J/mol×K	969.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 2,3-dichlorophenyl ester.

Sources

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

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