Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI

InChI=1S/C21H26F8O4/c1-5-7-14(4)15(11-10-13(2)3)33-17(31)9-6-8-16(30)32-12-19(24,25)21(28,29)20(26,27)18(22)23/h14-15,18H,2,5-9,12H2,1,3-4H3

InChI Key

ZIVDKJOSFYMTSI-UHFFFAOYSA-N

Formula

C21H26F8O4

SMILES

C=C(C)C#CC(OC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(C)CCC

Molecular Weight¹

494.42

• 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	0.8488		Relay (... Calculated Property
ΔfG°	-1617.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-2291.61	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.08	kJ/mol	Joback Calculated Property
ΔvapH°	95.35	kJ/mol	Relay (... Calculated Property
IE	9.24	eV	Relay (... Calculated Property
log10WS	-6.53		Relay (... Calculated Property
logPoct/wat	5.798		Crippen Calculated Property
McVol	322.890	ml/mol	McGowan Calculated Property
Pc	968.07	kPa	Joback Calculated Property
Inp	[1961.00; 1961.00]
Inp	1961.00		NIST
Inp	1961.00		NIST
Tboil	595.51	K	Relay (... Calculated Property
Tc	736.27	K	Relay (... Calculated Property
Tfus	309.09	K	Relay (... Calculated Property
Vc	1.166	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1015.88; 1092.71]	J/mol×K	[821.17; 1006.61]
Cp,gas	1015.88	J/mol×K	821.17	Joback Calculated Property
Cp,gas	1030.89	J/mol×K	852.08	Joback Calculated Property
Cp,gas	1044.93	J/mol×K	882.98	Joback Calculated Property
Cp,gas	1058.07	J/mol×K	913.89	Joback Calculated Property
Cp,gas	1070.37	J/mol×K	944.80	Joback Calculated Property
Cp,gas	1081.90	J/mol×K	975.71	Joback Calculated Property
Cp,gas	1092.71	J/mol×K	1006.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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

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