Chemical Properties of Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C17H6Cl3F5O4/c18-6-3-8(19)17(9(20)4-6)29-11(27)2-1-10(26)28-5-7-12(21)14(23)16(25)15(24)13(7)22/h1-4H,5H2/b2-1+

InChI Key

BDDSAMTTYHSXNH-OWOJBTEDSA-N

Formula

C17H6Cl3F5O4

SMILES

O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

475.58

• 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°	-1157.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1413.06	kJ/mol	Joback Calculated Property
ΔfusH°	58.52	kJ/mol	Joback Calculated Property
ΔvapH°	90.62	kJ/mol	Joback Calculated Property
log10WS	-7.58		Crippen Calculated Property
logPoct/wat	5.547		Crippen Calculated Property
McVol	259.020	ml/mol	McGowan Calculated Property
Pc	1600.00	kPa	Joback Calculated Property
Inp	[2536.00; 2536.00]
Inp	2536.00		NIST
Inp	2536.00		NIST
Tboil	946.94	K	Joback Calculated Property
Tc	1168.90	K	Joback Calculated Property
Tfus	666.30	K	Joback Calculated Property
Vc	1.036	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.87; 697.91]	J/mol×K	[946.94; 1168.90]
Cp,gas	669.87	J/mol×K	946.94	Joback Calculated Property
Cp,gas	676.87	J/mol×K	983.93	Joback Calculated Property
Cp,gas	682.93	J/mol×K	1020.93	Joback Calculated Property
Cp,gas	688.06	J/mol×K	1057.92	Joback Calculated Property
Cp,gas	692.26	J/mol×K	1094.91	Joback Calculated Property
Cp,gas	695.54	J/mol×K	1131.90	Joback Calculated Property
Cp,gas	697.91	J/mol×K	1168.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester.

Sources

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

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