Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentafluorobenzyl ester

InChI

InChI=1S/C17H11F13O4/c18-9-6(10(19)12(21)13(22)11(9)20)4-33-7(31)2-1-3-8(32)34-5-15(25,26)17(29,30)16(27,28)14(23)24/h14H,1-5H2

InChI Key

LOPYOOLEBMINMX-UHFFFAOYSA-N

Formula

C17H11F13O4

SMILES

O=C(CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

526.25

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9330		Relay (1.0) Calculated Property
ΔfG°	-2837.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-3089.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.73	kJ/mol	Joback Calculated Property
ΔvapH°	93.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-7.84		Relay (1.0) Calculated Property
logPoct/wat	5.310		Crippen Calculated Property
McVol	264.520	ml/mol	McGowan Calculated Property
Pc	1094.99	kPa	Joback Calculated Property
Inp	[1804.00; 1804.00]
Inp	1804.00		NIST
Inp	1804.00		NIST
Tboil	587.94	K	Relay (1.0) Calculated Property
Tc	729.30	K	Relay (1.0) Calculated Property
Tfus	333.28	K	Relay (1.0) Calculated Property
Vc	1.004	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[806.63; 862.08]	J/mol×K	[772.90; 946.41]
Cp,gas	806.63	J/mol×K	772.90	Joback Calculated Property
Cp,gas	817.68	J/mol×K	801.82	Joback Calculated Property
Cp,gas	827.96	J/mol×K	830.74	Joback Calculated Property
Cp,gas	837.50	J/mol×K	859.65	Joback Calculated Property
Cp,gas	846.35	J/mol×K	888.57	Joback Calculated Property
Cp,gas	854.53	J/mol×K	917.49	Joback Calculated Property
Cp,gas	862.08	J/mol×K	946.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentafluorobenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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