Chemical Properties of Benzoic acid, pentafluorophenyl ester

InChI

InChI=1S/C13H5F5O2/c14-7-8(15)10(17)12(11(18)9(7)16)20-13(19)6-4-2-1-3-5-6/h1-5H

InChI Key

WZPWTXZSQHIABL-UHFFFAOYSA-N

Formula

C13H5F5O2

SMILES

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccc1

Molecular Weight¹

288.17

• 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°	-972.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1121.29	kJ/mol	Joback Calculated Property
ΔfusH°	33.75	kJ/mol	Joback Calculated Property
ΔvapH°	57.47	kJ/mol	Joback Calculated Property
log10WS	-5.22		Crippen Calculated Property
logPoct/wat	3.601		Crippen Calculated Property
McVol	162.800	ml/mol	McGowan Calculated Property
Pc	2361.07	kPa	Joback Calculated Property
Inp	[1499.00; 1499.00]
Inp	1499.00		NIST
Inp	1499.00		NIST
Tboil	647.74	K	Joback Calculated Property
Tc	848.49	K	Joback Calculated Property
Tfus	426.82	K	Joback Calculated Property
Vc	0.661	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[401.74; 455.14]	J/mol×K	[647.74; 848.49]
Cp,gas	401.74	J/mol×K	647.74	Joback Calculated Property
Cp,gas	412.26	J/mol×K	681.20	Joback Calculated Property
Cp,gas	422.11	J/mol×K	714.66	Joback Calculated Property
Cp,gas	431.33	J/mol×K	748.12	Joback Calculated Property
Cp,gas	439.90	J/mol×K	781.58	Joback Calculated Property
Cp,gas	447.83	J/mol×K	815.04	Joback Calculated Property
Cp,gas	455.14	J/mol×K	848.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, pentafluorophenyl ester.

Sources

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

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