Chemical Properties of Fumaric acid, 2-ethylbutyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C13H18F4O4/c1-3-9(4-2)7-20-10(18)5-6-11(19)21-8-13(16,17)12(14)15/h5-6,9,12H,3-4,7-8H2,1-2H3/b6-5+

InChI Key

NGWZROIBSBOSHB-AATRIKPKSA-N

Formula

C13H18F4O4

SMILES

CCC(CC)COC(=O)C=CC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

314.27

• 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°	-1110.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1487.78	kJ/mol	Joback Calculated Property
ΔfusH°	33.06	kJ/mol	Joback Calculated Property
ΔvapH°	57.46	kJ/mol	Joback Calculated Property
log10WS	-3.23		Crippen Calculated Property
logPoct/wat	2.966		Crippen Calculated Property
McVol	211.690	ml/mol	McGowan Calculated Property
Pc	1643.09	kPa	Joback Calculated Property
Inp	[1531.00; 1531.00]
Inp	1531.00		NIST
Inp	1531.00		NIST
Tboil	646.55	K	Joback Calculated Property
Tc	816.97	K	Joback Calculated Property
Tfus	350.29	K	Joback Calculated Property
Vc	0.841	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[582.70; 653.23]	J/mol×K	[646.55; 816.97]
Cp,gas	582.70	J/mol×K	646.55	Joback Calculated Property
Cp,gas	596.14	J/mol×K	674.95	Joback Calculated Property
Cp,gas	608.87	J/mol×K	703.36	Joback Calculated Property
Cp,gas	620.93	J/mol×K	731.76	Joback Calculated Property
Cp,gas	632.33	J/mol×K	760.16	Joback Calculated Property
Cp,gas	643.08	J/mol×K	788.57	Joback Calculated Property
Cp,gas	653.23	J/mol×K	816.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-ethylbutyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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