Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl pentafluorophenyl ester

InChI

InChI=1S/C17H9ClF6O4/c18-7-3-1-4-8(19)16(7)27-9(25)5-2-6-10(26)28-17-14(23)12(21)11(20)13(22)15(17)24/h1,3-4H,2,5-6H2

InChI Key

MQBRQMXPKVCTCG-UHFFFAOYSA-N

Formula

C17H9ClF6O4

SMILES

O=C(CCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)cccc1Cl

Molecular Weight¹

426.69

• 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°	-1398.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1683.44	kJ/mol	Joback Calculated Property
ΔfusH°	53.40	kJ/mol	Joback Calculated Property
ΔvapH°	80.42	kJ/mol	Joback Calculated Property
log10WS	-6.84		Crippen Calculated Property
logPoct/wat	4.856		Crippen Calculated Property
McVol	240.610	ml/mol	McGowan Calculated Property
Pc	1589.81	kPa	Joback Calculated Property
Inp	[2177.00; 2177.00]
Inp	2177.00		NIST
Inp	2177.00		NIST
Tboil	862.21	K	Joback Calculated Property
Tc	1065.19	K	Joback Calculated Property
Tfus	599.61	K	Joback Calculated Property
Vc	0.977	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.21; 713.83]	J/mol×K	[862.21; 1065.19]
Cp,gas	671.21	J/mol×K	862.21	Joback Calculated Property
Cp,gas	680.61	J/mol×K	896.04	Joback Calculated Property
Cp,gas	689.10	J/mol×K	929.87	Joback Calculated Property
Cp,gas	696.68	J/mol×K	963.70	Joback Calculated Property
Cp,gas	703.32	J/mol×K	997.53	Joback Calculated Property
Cp,gas	709.04	J/mol×K	1031.36	Joback Calculated Property
Cp,gas	713.83	J/mol×K	1065.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl pentafluorophenyl ester.

Sources

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

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