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

InChI

InChI=1S/C16H9Cl4FO4/c17-8-6-10(19)15(11(20)7-8)24-13(22)4-5-14(23)25-16-9(18)2-1-3-12(16)21/h1-3,6-7H,4-5H2

InChI Key

UIXRSBCVRCOZMB-UHFFFAOYSA-N

Formula

C16H9Cl4FO4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1c(F)cccc1Cl

Molecular Weight¹

426.05

• 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	0.8574		Relay (1.0) Calculated Property
ΔfG°	-449.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-734.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.77	kJ/mol	Joback Calculated Property
ΔvapH°	114.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-6.70		Relay (1.0) Calculated Property
logPoct/wat	5.731		Crippen Calculated Property
McVol	254.390	ml/mol	McGowan Calculated Property
Pc	1944.08	kPa	Joback Calculated Property
Inp	[2706.00; 2706.00]
Inp	2706.00		NIST
Inp	2706.00		NIST
Tboil	618.76	K	Relay (1.0) Calculated Property
Tc	942.77	K	Relay (1.0) Calculated Property
Tfus	370.05	K	Relay (1.0) Calculated Property
Vc	0.913	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[637.96; 665.23]	J/mol×K	[945.31; 1186.15]
Cp,gas	637.96	J/mol×K	945.31	Joback Calculated Property
Cp,gas	645.33	J/mol×K	985.45	Joback Calculated Property
Cp,gas	651.56	J/mol×K	1025.59	Joback Calculated Property
Cp,gas	656.66	J/mol×K	1065.73	Joback Calculated Property
Cp,gas	660.63	J/mol×K	1105.87	Joback Calculated Property
Cp,gas	663.49	J/mol×K	1146.01	Joback Calculated Property
Cp,gas	665.23	J/mol×K	1186.15	Joback Calculated Property

Similar Compounds

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

Sources

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

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