Chemical Properties of Fumaric acid, ethyl pentafluorobenzyl ester

InChI

InChI=1S/C13H9F5O4/c1-2-21-7(19)3-4-8(20)22-5-6-9(14)11(16)13(18)12(17)10(6)15/h3-4H,2,5H2,1H3/b4-3+

InChI Key

HIYKWQUZIAKFAY-ONEGZZNKSA-N

Formula

C13H9F5O4

SMILES

CCOC(=O)C=CC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

324.20

• 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°	-1238.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1485.40	kJ/mol	Joback Calculated Property
ΔfusH°	42.70	kJ/mol	Joback Calculated Property
ΔvapH°	64.30	kJ/mol	Joback Calculated Property
log10WS	-4.10		Crippen Calculated Property
logPoct/wat	2.545		Crippen Calculated Property
McVol	189.700	ml/mol	McGowan Calculated Property
Pc	1905.24	kPa	Joback Calculated Property
Inp	[1659.00; 1659.00]
Inp	1659.00		NIST
Inp	1659.00		NIST
Tboil	701.51	K	Joback Calculated Property
Tc	884.49	K	Joback Calculated Property
Tfus	467.48	K	Joback Calculated Property
Vc	0.773	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.78; 553.03]	J/mol×K	[701.51; 884.49]
Cp,gas	499.78	J/mol×K	701.51	Joback Calculated Property
Cp,gas	510.07	J/mol×K	732.01	Joback Calculated Property
Cp,gas	519.79	J/mol×K	762.50	Joback Calculated Property
Cp,gas	528.95	J/mol×K	793.00	Joback Calculated Property
Cp,gas	537.54	J/mol×K	823.50	Joback Calculated Property
Cp,gas	545.57	J/mol×K	854.00	Joback Calculated Property
Cp,gas	553.03	J/mol×K	884.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, ethyl pentafluorobenzyl ester.

Sources

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

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