Chemical Properties of 2,3,4-Trifluorobenzoic acid, 4-methoxyphenyl ester

InChI

InChI=1S/C14H9F3O3/c1-19-8-2-4-9(5-3-8)20-14(18)10-6-7-11(15)13(17)12(10)16/h2-7H,1H3

InChI Key

BUDRKSKGWADFOT-UHFFFAOYSA-N

Formula

C14H9F3O3

SMILES

COc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1

Molecular Weight¹

282.21

• 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	0.7063		Relay (1.0) Calculated Property
ΔfG°	-670.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-825.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.76	kJ/mol	Joback Calculated Property
ΔvapH°	84.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-5.14		Relay (1.0) Calculated Property
logPoct/wat	3.332		Crippen Calculated Property
McVol	179.220	ml/mol	McGowan Calculated Property
Pc	2342.82	kPa	Joback Calculated Property
Inp	[1846.00; 1846.00]
Inp	1846.00		NIST
Inp	1846.00		NIST
Tboil	593.48	K	Relay (1.0) Calculated Property
Tc	821.71	K	Relay (1.0) Calculated Property
Tfus	328.57	K	Relay (1.0) Calculated Property
Vc	0.660	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[460.63; 521.47]	J/mol×K	[689.52; 901.81]
Cp,gas	460.63	J/mol×K	689.52	Joback Calculated Property
Cp,gas	472.83	J/mol×K	724.90	Joback Calculated Property
Cp,gas	484.20	J/mol×K	760.28	Joback Calculated Property
Cp,gas	494.75	J/mol×K	795.67	Joback Calculated Property
Cp,gas	504.48	J/mol×K	831.05	Joback Calculated Property
Cp,gas	513.39	J/mol×K	866.43	Joback Calculated Property
Cp,gas	521.47	J/mol×K	901.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trifluorobenzoic acid, 4-methoxyphenyl ester.

Sources

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

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