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

• 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).
• 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
ΔfG°	-759.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-934.35	kJ/mol	Joback Calculated Property
ΔfusH°	33.65	kJ/mol	Joback Calculated Property
ΔvapH°	59.85	kJ/mol	Joback Calculated Property
log10WS	-5.15		Crippen Calculated Property
logPoct/wat	3.600		Crippen Calculated Property
McVol	175.120	ml/mol	McGowan Calculated Property
Pc	2280.59	kPa	Joback Calculated Property
Inp	[1720.00; 1720.00]
Inp	1720.00		NIST
Inp	1720.00		NIST
Tboil	666.37	K	Joback Calculated Property
Tc	872.00	K	Joback Calculated Property
Tfus	424.98	K	Joback Calculated Property
Vc	0.700	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.06; 503.86]	J/mol×K	[666.37; 872.00]
Cp,gas	444.06	J/mol×K	666.37	Joback Calculated Property
Cp,gas	455.91	J/mol×K	700.64	Joback Calculated Property
Cp,gas	466.99	J/mol×K	734.91	Joback Calculated Property
Cp,gas	477.31	J/mol×K	769.19	Joback Calculated Property
Cp,gas	486.89	J/mol×K	803.46	Joback Calculated Property
Cp,gas	495.73	J/mol×K	837.73	Joback Calculated Property
Cp,gas	503.86	J/mol×K	872.00	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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