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

InChI

InChI=1S/C20H13F3O3/c21-17-11-10-16(18(22)19(17)23)20(24)26-15-8-6-14(7-9-15)25-12-13-4-2-1-3-5-13/h1-11H,12H2

InChI Key

LSPRJYJEPMKXBQ-UHFFFAOYSA-N

Formula

C20H13F3O3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1F

Molecular Weight¹

358.31

• 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	0.8075		Relay (1.0) Calculated Property
ΔfG°	-507.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-697.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.34	kJ/mol	Joback Calculated Property
ΔvapH°	105.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-6.44		Relay (1.0) Calculated Property
logPoct/wat	4.902		Crippen Calculated Property
McVol	240.000	ml/mol	McGowan Calculated Property
Pc	1872.41	kPa	Joback Calculated Property
Inp	[2548.00; 2548.00]
Inp	2548.00		NIST
Inp	2548.00		NIST
Tboil	673.95	K	Relay (1.0) Calculated Property
Tc	945.21	K	Relay (1.0) Calculated Property
Tfus	345.31	K	Relay (1.0) Calculated Property
Vc	0.879	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[689.75; 746.12]	J/mol×K	[853.48; 1082.48]
Cp,gas	689.75	J/mol×K	853.48	Joback Calculated Property
Cp,gas	702.13	J/mol×K	891.65	Joback Calculated Property
Cp,gas	713.27	J/mol×K	929.81	Joback Calculated Property
Cp,gas	723.21	J/mol×K	967.98	Joback Calculated Property
Cp,gas	731.97	J/mol×K	1006.15	Joback Calculated Property
Cp,gas	739.60	J/mol×K	1044.31	Joback Calculated Property
Cp,gas	746.12	J/mol×K	1082.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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