Chemical Properties of 4-Chlorobutyric acid, pentafluorophenyl ester

InChI

InChI=1S/C10H6ClF5O2/c11-3-1-2-4(17)18-10-8(15)6(13)5(12)7(14)9(10)16/h1-3H2

InChI Key

OASWZKFZGUCTGJ-UHFFFAOYSA-N

Formula

C10H6ClF5O2

SMILES

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

Molecular Weight¹

288.60

• 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°	-1122.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1311.64	kJ/mol	Joback Calculated Property
ΔfusH°	36.14	kJ/mol	Joback Calculated Property
ΔvapH°	52.90	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	3.306		Crippen Calculated Property
McVol	156.530	ml/mol	McGowan Calculated Property
Pc	2187.68	kPa	Joback Calculated Property
Inp	[1366.00; 1369.00]
Inp	1366.00		NIST
Inp	1369.00		NIST
Inp	1366.00		NIST
Tboil	589.85	K	Joback Calculated Property
Tc	767.28	K	Joback Calculated Property
Tfus	396.51	K	Joback Calculated Property
Vc	0.650	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.77; 411.77]	J/mol×K	[589.85; 767.28]
Cp,gas	363.77	J/mol×K	589.85	Joback Calculated Property
Cp,gas	372.75	J/mol×K	619.42	Joback Calculated Property
Cp,gas	381.34	J/mol×K	648.99	Joback Calculated Property
Cp,gas	389.54	J/mol×K	678.56	Joback Calculated Property
Cp,gas	397.35	J/mol×K	708.13	Joback Calculated Property
Cp,gas	404.76	J/mol×K	737.71	Joback Calculated Property
Cp,gas	411.77	J/mol×K	767.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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