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

InChI

InChI=1S/C16H22F8O4/c1-3-4-6-10(2)28-12(26)8-5-7-11(25)27-9-14(19,20)16(23,24)15(21,22)13(17)18/h10,13H,3-9H2,1-2H3

InChI Key

XKXKAODGCHROSK-UHFFFAOYSA-N

Formula

C16H22F8O4

SMILES

CCCCC(C)OC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

430.33

• 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	0.8627		Relay (... Calculated Property
ΔfG°	-1938.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-2574.07	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.12	kJ/mol	Joback Calculated Property
ΔvapH°	82.67	kJ/mol	Relay (... Calculated Property
IE	10.04	eV	Relay (... Calculated Property
log10WS	-5.46		Relay (... Calculated Property
logPoct/wat	4.993		Crippen Calculated Property
McVol	265.340	ml/mol	McGowan Calculated Property
Pc	1149.87	kPa	Joback Calculated Property
Inp	[1645.00; 1645.00]
Inp	1645.00		NIST
Inp	1645.00		NIST
Tboil	551.86	K	Relay (... Calculated Property
Tc	685.27	K	Relay (... Calculated Property
Tfus	277.33	K	Relay (... Calculated Property
Vc	1.008	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[803.42; 877.75]	J/mol×K	[701.65; 864.31]
Cp,gas	803.42	J/mol×K	701.65	Joback Calculated Property
Cp,gas	817.74	J/mol×K	728.76	Joback Calculated Property
Cp,gas	831.24	J/mol×K	755.87	Joback Calculated Property
Cp,gas	843.95	J/mol×K	782.98	Joback Calculated Property
Cp,gas	855.92	J/mol×K	810.09	Joback Calculated Property
Cp,gas	867.17	J/mol×K	837.20	Joback Calculated Property
Cp,gas	877.75	J/mol×K	864.31	Joback Calculated Property

Similar Compounds

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

Sources

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

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