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

InChI

InChI=1S/C16H8Cl3FO4/c17-9-7-10(18)16(11(19)8-9)24-15(22)6-5-14(21)23-13-4-2-1-3-12(13)20/h1-8H/b6-5+

InChI Key

HJCNCNBNLKMNJN-AATRIKPKSA-N

Formula

C16H8Cl3FO4

SMILES

O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1ccccc1F

Molecular Weight¹

389.59

• 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°	-348.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-562.10	kJ/mol	Joback Calculated Property
ΔfusH°	45.17	kJ/mol	Joback Calculated Property
ΔvapH°	89.02	kJ/mol	Joback Calculated Property
log10WS	-5.99		Crippen Calculated Property
logPoct/wat	4.853		Crippen Calculated Property
McVol	237.850	ml/mol	McGowan Calculated Property
Pc	2135.43	kPa	Joback Calculated Property
Inp	[2548.00; 2548.00]
Inp	2548.00		NIST
Inp	2548.00		NIST
Tboil	907.06	K	Joback Calculated Property
Tc	1150.98	K	Joback Calculated Property
Tfus	602.59	K	Joback Calculated Property
Vc	0.908	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[594.35; 629.78]	J/mol×K	[907.06; 1150.98]
Cp,gas	594.35	J/mol×K	907.06	Joback Calculated Property
Cp,gas	602.68	J/mol×K	947.71	Joback Calculated Property
Cp,gas	610.00	J/mol×K	988.37	Joback Calculated Property
Cp,gas	616.33	J/mol×K	1029.02	Joback Calculated Property
Cp,gas	621.72	J/mol×K	1069.67	Joback Calculated Property
Cp,gas	626.19	J/mol×K	1110.33	Joback Calculated Property
Cp,gas	629.78	J/mol×K	1150.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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