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

InChI

InChI=1S/C17H24F8O4/c1-11(2)6-5-9-28-12(26)7-3-4-8-13(27)29-10-15(20,21)17(24,25)16(22,23)14(18)19/h11,14H,3-10H2,1-2H3

InChI Key

HSJFXNBLURQLBE-UHFFFAOYSA-N

Formula

C17H24F8O4

SMILES

CC(C)CCCOC(=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	0.9126		Relay (1.0) Calculated Property
ΔfG°	-1930.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-2591.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.71	kJ/mol	Joback Calculated Property
ΔvapH°	85.71	kJ/mol	Relay (1.0) Calculated Property
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-5.88		Relay (1.0) Calculated Property
logPoct/wat	5.240		Crippen Calculated Property
McVol	279.430	ml/mol	McGowan Calculated Property
Pc	1078.51	kPa	Joback Calculated Property
Inp	[1819.00; 1819.00]
Inp	1819.00		NIST
Inp	1819.00		NIST
Tboil	572.34	K	Relay (1.0) Calculated Property
Tc	700.99	K	Relay (1.0) Calculated Property
Tfus	288.52	K	Relay (1.0) Calculated Property
Vc	1.060	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[859.45; 936.11]	J/mol×K	[724.53; 889.95]
Cp,gas	859.45	J/mol×K	724.53	Joback Calculated Property
Cp,gas	874.24	J/mol×K	752.10	Joback Calculated Property
Cp,gas	888.18	J/mol×K	779.67	Joback Calculated Property
Cp,gas	901.29	J/mol×K	807.24	Joback Calculated Property
Cp,gas	913.62	J/mol×K	834.81	Joback Calculated Property
Cp,gas	925.21	J/mol×K	862.38	Joback Calculated Property
Cp,gas	936.11	J/mol×K	889.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, isohexyl 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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