Chemical Properties of Glutaric acid, 8-chlorooctyl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C17H25ClF6O4/c18-10-5-3-1-2-4-6-11-27-13(25)8-7-9-14(26)28-12-16(20,21)15(19)17(22,23)24/h15H,1-12H2

InChI Key

KHXYEXRJSIGLSM-UHFFFAOYSA-N

Formula

C17H25ClF6O4

SMILES

O=C(CCCC(=O)OCC(F)(F)C(F)C(F)(F)F)OCCCCCCCCCl

Molecular Weight¹

442.82

• 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	0.9882		Relay (... Calculated Property
ΔfG°	-1553.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-2236.84	kJ/mol	Relay (... Calculated Property
ΔfusH°	49.69	kJ/mol	Joback Calculated Property
ΔvapH°	94.36	kJ/mol	Relay (... Calculated Property
IE	10.29	eV	Relay (... Calculated Property
log10WS	-5.82		Relay (... Calculated Property
logPoct/wat	5.358		Crippen Calculated Property
McVol	288.130	ml/mol	McGowan Calculated Property
Pc	1097.17	kPa	Joback Calculated Property
Inp	[2130.00; 2130.00]
Inp	2130.00		NIST
Inp	2130.00		NIST
Tboil	591.80	K	Relay (... Calculated Property
Tc	735.58	K	Relay (... Calculated Property
Tfus	281.09	K	Relay (... Calculated Property
Vc	1.070	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[871.89; 946.25]	J/mol×K	[767.09; 940.90]
Cp,gas	871.89	J/mol×K	767.09	Joback Calculated Property
Cp,gas	886.31	J/mol×K	796.06	Joback Calculated Property
Cp,gas	899.87	J/mol×K	825.03	Joback Calculated Property
Cp,gas	912.61	J/mol×K	854.00	Joback Calculated Property
Cp,gas	924.56	J/mol×K	882.97	Joback Calculated Property
Cp,gas	935.76	J/mol×K	911.93	Joback Calculated Property
Cp,gas	946.25	J/mol×K	940.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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