Chemical Properties of 4-Chlorobenzoic acid, pentafluorophenyl ester

InChI

InChI=1S/C13H4ClF5O2/c14-6-3-1-5(2-4-6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H

InChI Key

GFJBFALXBFFZPC-UHFFFAOYSA-N

Formula

C13H4ClF5O2

SMILES

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)cc1

Molecular Weight¹

322.62

• 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°	-994.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1148.50	kJ/mol	Joback Calculated Property
ΔfusH°	37.56	kJ/mol	Joback Calculated Property
ΔvapH°	62.51	kJ/mol	Joback Calculated Property
log10WS	-5.90		Crippen Calculated Property
logPoct/wat	4.255		Crippen Calculated Property
McVol	175.040	ml/mol	McGowan Calculated Property
Pc	2246.13	kPa	Joback Calculated Property
Inp	[1676.00; 1676.00]
Inp	1676.00		NIST
Inp	1676.00		NIST
Tboil	690.15	K	Joback Calculated Property
Tc	895.37	K	Joback Calculated Property
Tfus	469.26	K	Joback Calculated Property
Vc	0.711	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[422.76; 470.33]	J/mol×K	[690.15; 895.37]
Cp,gas	422.76	J/mol×K	690.15	Joback Calculated Property
Cp,gas	432.30	J/mol×K	724.35	Joback Calculated Property
Cp,gas	441.18	J/mol×K	758.56	Joback Calculated Property
Cp,gas	449.42	J/mol×K	792.76	Joback Calculated Property
Cp,gas	457.02	J/mol×K	826.97	Joback Calculated Property
Cp,gas	463.99	J/mol×K	861.17	Joback Calculated Property
Cp,gas	470.33	J/mol×K	895.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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