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

InChI

InChI=1S/C16H8Cl3F3O4/c17-7-5-8(18)16(9(19)6-7)26-13(24)4-3-12(23)25-11-2-1-10(20)14(21)15(11)22/h1-2,5-6H,3-4H2

InChI Key

IWVWDAVTJCOBAV-UHFFFAOYSA-N

Formula

C16H8Cl3F3O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1ccc(F)c(F)c1F

Molecular Weight¹

427.59

• 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°	-837.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-1094.48	kJ/mol	Joback Calculated Property
ΔfusH°	50.35	kJ/mol	Joback Calculated Property
ΔvapH°	88.75	kJ/mol	Joback Calculated Property
log10WS	-6.80		Crippen Calculated Property
logPoct/wat	5.355		Crippen Calculated Property
McVol	245.690	ml/mol	McGowan Calculated Property
Pc	1832.54	kPa	Joback Calculated Property
Inp	[2565.00; 2565.00]
Inp	2565.00		NIST
Inp	2565.00		NIST
Tboil	911.40	K	Joback Calculated Property
Tc	1136.90	K	Joback Calculated Property
Tfus	633.89	K	Joback Calculated Property
Vc	0.965	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[633.71; 665.25]	J/mol×K	[911.40; 1136.90]
Cp,gas	633.71	J/mol×K	911.40	Joback Calculated Property
Cp,gas	641.55	J/mol×K	948.98	Joback Calculated Property
Cp,gas	648.37	J/mol×K	986.57	Joback Calculated Property
Cp,gas	654.15	J/mol×K	1024.15	Joback Calculated Property
Cp,gas	658.88	J/mol×K	1061.73	Joback Calculated Property
Cp,gas	662.59	J/mol×K	1099.32	Joback Calculated Property
Cp,gas	665.25	J/mol×K	1136.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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