Chemical Properties of Benzoic acid, (2,3,4,5-tetrafluorophenyl)methyl ester

InChI

InChI=1S/C14H8F4O2/c15-10-6-9(11(16)13(18)12(10)17)7-20-14(19)8-4-2-1-3-5-8/h1-6H,7H2

InChI Key

QSTMIULCOVQQIB-UHFFFAOYSA-N

Formula

C14H8F4O2

SMILES

O=C(OCc1cc(F)c(F)c(F)c1F)c1ccccc1

Molecular Weight¹

284.21

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.6379		Relay (1.0) Calculated Property
ΔfH°gas	-823.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.23	kJ/mol	Joback Calculated Property
ΔvapH°	81.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	3.600		Crippen Calculated Property
McVol	175.120	ml/mol	McGowan Calculated Property
Pc	2193.84	kPa	Joback Calculated Property
Inp	[1720.00; 1720.00]
Inp	1720.00		NIST
Inp	1720.00		NIST
Tboil	558.89	K	Relay (1.0) Calculated Property
Tc	792.32	K	Relay (1.0) Calculated Property
Tfus	290.17	K	Relay (1.0) Calculated Property
Vc	0.650	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[440.79; 501.48]	J/mol×K	[648.50; 852.10]
Cp,gas	440.79	J/mol×K	648.50	Joback Calculated Property
Cp,gas	452.90	J/mol×K	682.43	Joback Calculated Property
Cp,gas	464.18	J/mol×K	716.37	Joback Calculated Property
Cp,gas	474.67	J/mol×K	750.30	Joback Calculated Property
Cp,gas	484.37	J/mol×K	784.23	Joback Calculated Property
Cp,gas	493.30	J/mol×K	818.16	Joback Calculated Property
Cp,gas	501.48	J/mol×K	852.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, (2,3,4,5-tetrafluorophenyl)methyl ester.

Sources

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

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