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

InChI

InChI=1S/C18H11ClF6O4/c19-9-3-1-4-10(20)18(9)29-12(27)6-2-5-11(26)28-7-8-13(21)15(23)17(25)16(24)14(8)22/h1,3-4H,2,5-7H2

InChI Key

YLCQTLZZGVWWSL-UHFFFAOYSA-N

Formula

C18H11ClF6O4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

440.72

• 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°	-1390.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1704.08	kJ/mol	Joback Calculated Property
ΔfusH°	55.99	kJ/mol	Joback Calculated Property
ΔvapH°	82.64	kJ/mol	Joback Calculated Property
log10WS	-7.11		Crippen Calculated Property
logPoct/wat	4.994		Crippen Calculated Property
McVol	254.700	ml/mol	McGowan Calculated Property
Pc	1474.75	kPa	Joback Calculated Property
Inp	[2339.00; 2339.00]
Inp	2339.00		NIST
Inp	2339.00		NIST
Tboil	885.09	K	Joback Calculated Property
Tc	1089.57	K	Joback Calculated Property
Tfus	610.88	K	Joback Calculated Property
Vc	1.032	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[726.48; 770.12]	J/mol×K	[885.09; 1089.57]
Cp,gas	726.48	J/mol×K	885.09	Joback Calculated Property
Cp,gas	736.21	J/mol×K	919.17	Joback Calculated Property
Cp,gas	744.96	J/mol×K	953.25	Joback Calculated Property
Cp,gas	752.73	J/mol×K	987.33	Joback Calculated Property
Cp,gas	759.51	J/mol×K	1021.41	Joback Calculated Property
Cp,gas	765.31	J/mol×K	1055.49	Joback Calculated Property
Cp,gas	770.12	J/mol×K	1089.57	Joback Calculated Property

Similar Compounds

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

Sources

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

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