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

InChI

InChI=1S/C18H24F8O4/c1-2-3-4-5-6-7-8-11-29-13(27)9-10-14(28)30-12-16(21,22)18(25,26)17(23,24)15(19)20/h9-10,15H,2-8,11-12H2,1H3/b10-9+

InChI Key

NFNZTVNFRUMRQD-MDZDMXLPSA-N

Formula

C18H24F8O4

SMILES

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

Molecular Weight¹

456.37

• 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°	-1839.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-2387.64	kJ/mol	Joback Calculated Property
ΔfusH°	47.03	kJ/mol	Joback Calculated Property
ΔvapH°	63.12	kJ/mol	Joback Calculated Property
log10WS	-6.19		Crippen Calculated Property
logPoct/wat	5.551		Crippen Calculated Property
McVol	289.220	ml/mol	McGowan Calculated Property
Pc	1042.60	kPa	Joback Calculated Property
Inp	[1952.00; 1952.00]
Inp	1952.00		NIST
Inp	1952.00		NIST
Tboil	752.01	K	Joback Calculated Property
Tc	922.27	K	Joback Calculated Property
Tfus	428.84	K	Joback Calculated Property
Vc	1.177	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[891.90; 967.32]	J/mol×K	[752.01; 922.27]
Cp,gas	891.90	J/mol×K	752.01	Joback Calculated Property
Cp,gas	906.45	J/mol×K	780.39	Joback Calculated Property
Cp,gas	920.13	J/mol×K	808.76	Joback Calculated Property
Cp,gas	933.01	J/mol×K	837.14	Joback Calculated Property
Cp,gas	945.13	J/mol×K	865.52	Joback Calculated Property
Cp,gas	956.55	J/mol×K	893.89	Joback Calculated Property
Cp,gas	967.32	J/mol×K	922.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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