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

InChI

InChI=1S/C13H9Cl3F4O4/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/h3-4,12H,1-2,5H2

InChI Key

CYUPBYVKYVPYMU-UHFFFAOYSA-N

Formula

C13H9Cl3F4O4

SMILES

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

Molecular Weight¹

411.56

• 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	0.8071		Relay (1.0) Calculated Property
ΔfG°	-1140.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-1497.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.85	kJ/mol	Joback Calculated Property
ΔvapH°	94.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-5.80		Relay (1.0) Calculated Property
logPoct/wat	4.776		Crippen Calculated Property
McVol	228.950	ml/mol	McGowan Calculated Property
Pc	1807.70	kPa	Joback Calculated Property
Inp	[2025.00; 2025.00]
Inp	2025.00		NIST
Inp	2025.00		NIST
Tboil	573.18	K	Relay (1.0) Calculated Property
Tc	810.77	K	Relay (1.0) Calculated Property
Tfus	353.64	K	Relay (1.0) Calculated Property
Vc	0.826	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[589.39; 632.61]	J/mol×K	[796.74; 1000.70]
Cp,gas	589.39	J/mol×K	796.74	Joback Calculated Property
Cp,gas	598.48	J/mol×K	830.73	Joback Calculated Property
Cp,gas	606.78	J/mol×K	864.73	Joback Calculated Property
Cp,gas	614.33	J/mol×K	898.72	Joback Calculated Property
Cp,gas	621.13	J/mol×K	932.71	Joback Calculated Property
Cp,gas	627.22	J/mol×K	966.70	Joback Calculated Property
Cp,gas	632.61	J/mol×K	1000.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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