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

InChI

InChI=1S/C17H24F8O4/c1-2-3-4-7-10-28-12(26)8-5-6-9-13(27)29-11-15(20,21)17(24,25)16(22,23)14(18)19/h14H,2-11H2,1H3

InChI Key

VVRGAKMZYTXACG-UHFFFAOYSA-N

Formula

C17H24F8O4

SMILES

CCCCCCOC(=O)CCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

444.36

• 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	0.9480		Relay (... Calculated Property
ΔfG°	-1927.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-2569.09	kJ/mol	Relay (... Calculated Property
ΔfusH°	44.23	kJ/mol	Joback Calculated Property
ΔvapH°	87.27	kJ/mol	Relay (... Calculated Property
IE	10.08	eV	Relay (... Calculated Property
log10WS	-5.99		Relay (... Calculated Property
logPoct/wat	5.385		Crippen Calculated Property
McVol	279.430	ml/mol	McGowan Calculated Property
Pc	1072.87	kPa	Joback Calculated Property
Inp	[1851.00; 1851.00]
Inp	1851.00		NIST
Inp	1851.00		NIST
Tboil	572.82	K	Relay (... Calculated Property
Tc	701.19	K	Relay (... Calculated Property
Tfus	283.18	K	Relay (... Calculated Property
Vc	1.067	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[858.96; 935.32]	J/mol×K	[724.97; 889.72]
Cp,gas	858.96	J/mol×K	724.97	Joback Calculated Property
Cp,gas	873.67	J/mol×K	752.43	Joback Calculated Property
Cp,gas	887.53	J/mol×K	779.89	Joback Calculated Property
Cp,gas	900.59	J/mol×K	807.35	Joback Calculated Property
Cp,gas	912.88	J/mol×K	834.81	Joback Calculated Property
Cp,gas	924.44	J/mol×K	862.26	Joback Calculated Property
Cp,gas	935.32	J/mol×K	889.72	Joback Calculated Property

Similar Compounds

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

Sources

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

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