Chemical Properties of Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester

InChI

InChI=1S/C20H28F8O4/c1-2-3-4-5-6-7-8-9-10-13-31-15(29)11-12-16(30)32-14-18(23,24)20(27,28)19(25,26)17(21)22/h11-12,17H,2-10,13-14H2,1H3/b12-11+

InChI Key

YUSCWXMPPJBOBL-VAWYXSNFSA-N

Formula

C20H28F8O4

SMILES

CCCCCCCCCCCOC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

484.42

• 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	1.0300		Relay (... Calculated Property
ΔfG°	-1822.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-2534.63	kJ/mol	Relay (... Calculated Property
ΔfusH°	52.21	kJ/mol	Joback Calculated Property
ΔvapH°	102.38	kJ/mol	Relay (... Calculated Property
IE	10.41	eV	Relay (... Calculated Property
log10WS	-7.71		Relay (... Calculated Property
logPoct/wat	6.331		Crippen Calculated Property
McVol	317.400	ml/mol	McGowan Calculated Property
Pc	924.43	kPa	Joback Calculated Property
Inp	[2135.00; 2135.00]
Inp	2135.00		NIST
Inp	2135.00		NIST
Tboil	602.86	K	Relay (... Calculated Property
Tc	730.78	K	Relay (... Calculated Property
Tfus	310.05	K	Relay (... Calculated Property
Vc	1.183	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1007.53; 1088.50]	J/mol×K	[797.77; 976.69]
Cp,gas	1007.53	J/mol×K	797.77	Joback Calculated Property
Cp,gas	1023.16	J/mol×K	827.59	Joback Calculated Property
Cp,gas	1037.85	J/mol×K	857.41	Joback Calculated Property
Cp,gas	1051.67	J/mol×K	887.23	Joback Calculated Property
Cp,gas	1064.67	J/mol×K	917.05	Joback Calculated Property
Cp,gas	1076.92	J/mol×K	946.87	Joback Calculated Property
Cp,gas	1088.50	J/mol×K	976.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester.

Sources

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

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