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

InChI

InChI=1S/C11H10F8O4/c1-2-22-6(20)3-4-7(21)23-5-9(14,15)11(18,19)10(16,17)8(12)13/h3-4,8H,2,5H2,1H3/b4-3+

InChI Key

RECSWTWQJZPFQW-ONEGZZNKSA-N

Formula

C11H10F8O4

SMILES

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

Molecular Weight¹

358.18

• 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°	-1898.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-2243.16	kJ/mol	Joback Calculated Property
ΔfusH°	28.90	kJ/mol	Joback Calculated Property
ΔvapH°	47.54	kJ/mol	Joback Calculated Property
log10WS	-3.26		Crippen Calculated Property
logPoct/wat	2.820		Crippen Calculated Property
McVol	190.590	ml/mol	McGowan Calculated Property
Pc	1700.50	kPa	Joback Calculated Property
Inp	[1285.00; 1285.00]
Inp	1285.00		NIST
Inp	1285.00		NIST
Tboil	591.85	K	Joback Calculated Property
Tc	751.14	K	Joback Calculated Property
Tfus	349.95	K	Joback Calculated Property
Vc	0.784	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[520.10; 577.85]	J/mol×K	[591.85; 751.14]
Cp,gas	520.10	J/mol×K	591.85	Joback Calculated Property
Cp,gas	531.35	J/mol×K	618.40	Joback Calculated Property
Cp,gas	541.91	J/mol×K	644.95	Joback Calculated Property
Cp,gas	551.80	J/mol×K	671.49	Joback Calculated Property
Cp,gas	561.07	J/mol×K	698.04	Joback Calculated Property
Cp,gas	569.74	J/mol×K	724.59	Joback Calculated Property
Cp,gas	577.85	J/mol×K	751.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, ethyl 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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