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

InChI

InChI=1S/C16H12Cl2F8O4/c17-8-4-5-10(9(18)6-8)30-12(28)3-1-2-11(27)29-7-14(21,22)16(25,26)15(23,24)13(19)20/h4-6,13H,1-3,7H2

InChI Key

UITPKYZGHAIJIH-UHFFFAOYSA-N

Formula

C16H12Cl2F8O4

SMILES

O=C(CCCC(=O)Oc1ccc(Cl)cc1Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

491.16

• 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	0.8914		Relay (1.0) Calculated Property
ΔfG°	-1867.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-2349.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.30	kJ/mol	Joback Calculated Property
ΔvapH°	99.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-6.78		Relay (1.0) Calculated Property
logPoct/wat	5.783		Crippen Calculated Property
McVol	266.060	ml/mol	McGowan Calculated Property
Pc	1341.76	kPa	Joback Calculated Property
Inp	[2150.00; 2150.00]
Inp	2150.00		NIST
Inp	2150.00		NIST
Tboil	608.05	K	Relay (1.0) Calculated Property
Tc	800.70	K	Relay (1.0) Calculated Property
Tfus	336.73	K	Relay (1.0) Calculated Property
Vc	0.976	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.88; 814.19]	J/mol×K	[813.59; 1004.64]
Cp,gas	764.88	J/mol×K	813.59	Joback Calculated Property
Cp,gas	774.93	J/mol×K	845.43	Joback Calculated Property
Cp,gas	784.17	J/mol×K	877.27	Joback Calculated Property
Cp,gas	792.66	J/mol×K	909.11	Joback Calculated Property
Cp,gas	800.45	J/mol×K	940.96	Joback Calculated Property
Cp,gas	807.61	J/mol×K	972.80	Joback Calculated Property
Cp,gas	814.19	J/mol×K	1004.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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