Chemical Properties of Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl non-5-yn-3-yl ester

InChI

InChI=1S/C18H22F8O4/c1-3-5-6-7-8-12(4-2)30-14(28)10-9-13(27)29-11-16(21,22)18(25,26)17(23,24)15(19)20/h12,15H,3-5,8-11H2,1-2H3

InChI Key

QSUYVFGVAZTKLT-UHFFFAOYSA-N

Formula

C18H22F8O4

SMILES

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

Molecular Weight¹

454.35

• 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).
• 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
ΔfG°	-1719.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-2237.84	kJ/mol	Joback Calculated Property
ΔfusH°	46.42	kJ/mol	Joback Calculated Property
ΔvapH°	64.93	kJ/mol	Joback Calculated Property
log10WS	-6.24		Crippen Calculated Property
logPoct/wat	4.996		Crippen Calculated Property
McVol	284.920	ml/mol	McGowan Calculated Property
Pc	1125.32	kPa	Joback Calculated Property
Inp	[1858.00; 1858.00]
Inp	1858.00		NIST
Inp	1858.00		NIST
Tboil	756.41	K	Joback Calculated Property
Tc	931.13	K	Joback Calculated Property
Tfus	525.02	K	Joback Calculated Property
Vc	1.153	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[869.32; 942.15]	J/mol×K	[756.41; 931.13]
Cp,gas	869.32	J/mol×K	756.41	Joback Calculated Property
Cp,gas	883.50	J/mol×K	785.53	Joback Calculated Property
Cp,gas	896.80	J/mol×K	814.65	Joback Calculated Property
Cp,gas	909.27	J/mol×K	843.77	Joback Calculated Property
Cp,gas	920.95	J/mol×K	872.89	Joback Calculated Property
Cp,gas	931.90	J/mol×K	902.01	Joback Calculated Property
Cp,gas	942.15	J/mol×K	931.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl non-5-yn-3-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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