Chemical Properties of 2,4-Difluorobenzoic acid, pentafluorophenyl ester

InChI

InChI=1S/C13H3F7O2/c14-4-1-2-5(6(15)3-4)13(21)22-12-10(19)8(17)7(16)9(18)11(12)20/h1-3H

InChI Key

ZDBKOPSCVKQWAX-UHFFFAOYSA-N

Formula

C13H3F7O2

SMILES

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1F

Molecular Weight¹

324.15

• 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	0.6763		Relay (... Calculated Property
ΔfG°	-1381.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-1264.58	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.13	kJ/mol	Joback Calculated Property
ΔvapH°	79.49	kJ/mol	Relay (... Calculated Property
IE	9.26	eV	Relay (... Calculated Property
log10WS	-6.78		Relay (... Calculated Property
logPoct/wat	3.880		Crippen Calculated Property
McVol	166.340	ml/mol	McGowan Calculated Property
Pc	2108.07	kPa	Joback Calculated Property
Inp	[1454.00; 1454.00]
Inp	1454.00		NIST
Inp	1454.00		NIST
Tboil	523.68	K	Relay (... Calculated Property
Tc	757.81	K	Relay (... Calculated Property
Tfus	322.18	K	Relay (... Calculated Property
Vc	0.639	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[415.36; 463.27]	J/mol×K	[656.24; 843.37]
Cp,gas	415.36	J/mol×K	656.24	Joback Calculated Property
Cp,gas	424.66	J/mol×K	687.43	Joback Calculated Property
Cp,gas	433.44	J/mol×K	718.62	Joback Calculated Property
Cp,gas	441.69	J/mol×K	749.81	Joback Calculated Property
Cp,gas	449.41	J/mol×K	780.99	Joback Calculated Property
Cp,gas	456.61	J/mol×K	812.18	Joback Calculated Property
Cp,gas	463.27	J/mol×K	843.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Difluorobenzoic acid, pentafluorophenyl ester.

Sources

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

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