Chemical Properties of Fumaric acid, 2,4,6-trichlorophenyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C13H7Cl3F4O4/c14-6-3-7(15)11(8(16)4-6)24-10(22)2-1-9(21)23-5-13(19,20)12(17)18/h1-4,12H,5H2/b2-1+

InChI Key

PXGGAIRITFBZQO-OWOJBTEDSA-N

Formula

C13H7Cl3F4O4

SMILES

O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCC(F)(F)C(F)F

Molecular Weight¹

409.55

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7784		Relay (... Calculated Property
ΔfG°	-1060.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-1408.42	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.05	kJ/mol	Joback Calculated Property
ΔvapH°	95.86	kJ/mol	Relay (... Calculated Property
IE	9.83	eV	Relay (... Calculated Property
log10WS	-6.17		Relay (... Calculated Property
logPoct/wat	4.552		Crippen Calculated Property
McVol	224.650	ml/mol	McGowan Calculated Property
Pc	1890.36	kPa	Joback Calculated Property
Inp	[2020.00; 2020.00]
Inp	2020.00		NIST
Inp	2020.00		NIST
Tboil	569.38	K	Relay (... Calculated Property
Tc	811.59	K	Relay (... Calculated Property
Tfus	361.43	K	Relay (... Calculated Property
Vc	0.782	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.98; 603.40]	J/mol×K	[800.90; 1010.48]
Cp,gas	562.98	J/mol×K	800.90	Joback Calculated Property
Cp,gas	571.44	J/mol×K	835.83	Joback Calculated Property
Cp,gas	579.17	J/mol×K	870.76	Joback Calculated Property
Cp,gas	586.19	J/mol×K	905.69	Joback Calculated Property
Cp,gas	592.55	J/mol×K	940.62	Joback Calculated Property
Cp,gas	598.27	J/mol×K	975.55	Joback Calculated Property
Cp,gas	603.40	J/mol×K	1010.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl 2,2,3,3-tetrafluoropropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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