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

InChI

InChI=1S/C18H22F8O4/c1-4-5-6-12(9-11(2)3)30-14(28)8-7-13(27)29-10-16(21,22)18(25,26)17(23,24)15(19)20/h11-12,15H,4,7-10H2,1-3H3

InChI Key

DYTFJSUGGHDNBL-UHFFFAOYSA-N

Formula

C18H22F8O4

SMILES

CCC#CC(CC(C)C)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°	-1721.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-2243.12	kJ/mol	Joback Calculated Property
ΔfusH°	42.90	kJ/mol	Joback Calculated Property
ΔvapH°	64.54	kJ/mol	Joback Calculated Property
log10WS	-6.00		Crippen Calculated Property
logPoct/wat	4.852		Crippen Calculated Property
McVol	284.920	ml/mol	McGowan Calculated Property
Pc	1131.38	kPa	Joback Calculated Property
Inp	[1784.00; 1784.00]
Inp	1784.00		NIST
Inp	1784.00		NIST
Tboil	755.97	K	Joback Calculated Property
Tc	931.77	K	Joback Calculated Property
Tfus	510.02	K	Joback Calculated Property
Vc	1.147	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[869.85; 943.02]	J/mol×K	[755.97; 931.77]
Cp,gas	869.85	J/mol×K	755.97	Joback Calculated Property
Cp,gas	884.13	J/mol×K	785.27	Joback Calculated Property
Cp,gas	897.51	J/mol×K	814.57	Joback Calculated Property
Cp,gas	910.04	J/mol×K	843.87	Joback Calculated Property
Cp,gas	921.77	J/mol×K	873.17	Joback Calculated Property
Cp,gas	932.75	J/mol×K	902.47	Joback Calculated Property
Cp,gas	943.02	J/mol×K	931.77	Joback Calculated Property

Similar Compounds

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

Sources

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

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