Chemical Properties of 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C14H5Cl4F3O3/c1-23-13-10(20)4(2-7(19)11(13)21)14(22)24-12-6(16)3-5(15)8(17)9(12)18/h2-3H,1H3

InChI Key

KOOVJMJUKYVOGD-UHFFFAOYSA-N

Formula

C14H5Cl4F3O3

SMILES

COc1c(F)c(F)cc(C(=O)Oc2c(Cl)cc(Cl)c(Cl)c2Cl)c1F

Molecular Weight¹

420.00

• 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	0.8087		Relay (1.0) Calculated Property
ΔfG°	-756.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-824.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.99	kJ/mol	Joback Calculated Property
ΔvapH°	102.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-7.98		Relay (1.0) Calculated Property
logPoct/wat	5.945		Crippen Calculated Property
McVol	228.180	ml/mol	McGowan Calculated Property
Pc	1933.83	kPa	Joback Calculated Property
Inp	[2424.00; 2424.00]
Inp	2424.00		NIST
Inp	2424.00		NIST
Tboil	619.19	K	Relay (1.0) Calculated Property
Tc	927.45	K	Relay (1.0) Calculated Property
Tfus	381.18	K	Relay (1.0) Calculated Property
Vc	0.834	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[536.65; 568.81]	J/mol×K	[859.16; 1086.82]
Cp,gas	536.65	J/mol×K	859.16	Joback Calculated Property
Cp,gas	544.32	J/mol×K	897.10	Joback Calculated Property
Cp,gas	551.09	J/mol×K	935.05	Joback Calculated Property
Cp,gas	556.94	J/mol×K	972.99	Joback Calculated Property
Cp,gas	561.86	J/mol×K	1010.93	Joback Calculated Property
Cp,gas	565.82	J/mol×K	1048.87	Joback Calculated Property
Cp,gas	568.81	J/mol×K	1086.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic 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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