Chemical Properties of Fumaric acid, 2-(2-methoxyethyl)hexyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C16H24F4O5/c1-3-4-5-12(8-9-23-2)10-24-13(21)6-7-14(22)25-11-16(19,20)15(17)18/h6-7,12,15H,3-5,8-11H2,1-2H3/b7-6+

InChI Key

KEWYYUGILYQIRG-VOTSOKGWSA-N

Formula

C16H24F4O5

SMILES

CCCCC(CCOC)COC(=O)C=CC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

372.35

• 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°	-1190.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1681.92	kJ/mol	Joback Calculated Property
ΔfusH°	42.02	kJ/mol	Joback Calculated Property
ΔvapH°	66.55	kJ/mol	Joback Calculated Property
log10WS	-3.57		Crippen Calculated Property
logPoct/wat	3.372		Crippen Calculated Property
McVol	259.830	ml/mol	McGowan Calculated Property
Pc	1301.41	kPa	Joback Calculated Property
Inp	[1865.00; 1865.00]
Inp	1865.00		NIST
Inp	1865.00		NIST
Tboil	737.61	K	Joback Calculated Property
Tc	911.27	K	Joback Calculated Property
Tfus	406.33	K	Joback Calculated Property
Vc	1.026	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[773.64; 849.86]	J/mol×K	[737.61; 911.27]
Cp,gas	773.64	J/mol×K	737.61	Joback Calculated Property
Cp,gas	788.32	J/mol×K	766.55	Joback Calculated Property
Cp,gas	802.18	J/mol×K	795.50	Joback Calculated Property
Cp,gas	815.25	J/mol×K	824.44	Joback Calculated Property
Cp,gas	827.54	J/mol×K	853.39	Joback Calculated Property
Cp,gas	839.07	J/mol×K	882.33	Joback Calculated Property
Cp,gas	849.86	J/mol×K	911.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-(2-methoxyethyl)hexyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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