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

InChI

InChI=1S/C16H10ClF3O4/c17-9-2-1-3-10(8-9)23-13(21)6-7-14(22)24-12-5-4-11(18)15(19)16(12)20/h1-5,8H,6-7H2

InChI Key

PJZIMHCUERCVBS-UHFFFAOYSA-N

Formula

C16H10ClF3O4

SMILES

O=C(CCC(=O)Oc1ccc(F)c(F)c1F)Oc1cccc(Cl)c1

Molecular Weight¹

358.70

• 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°	-794.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1040.06	kJ/mol	Joback Calculated Property
ΔfusH°	42.73	kJ/mol	Joback Calculated Property
ΔvapH°	78.66	kJ/mol	Joback Calculated Property
log10WS	-5.43		Crippen Calculated Property
logPoct/wat	4.048		Crippen Calculated Property
McVol	221.210	ml/mol	McGowan Calculated Property
Pc	2007.30	kPa	Joback Calculated Property
Inp	[2293.00; 2293.00]
Inp	2293.00		NIST
Inp	2293.00		NIST
Tboil	826.58	K	Joback Calculated Property
Tc	1043.17	K	Joback Calculated Property
Tfus	549.01	K	Joback Calculated Property
Vc	0.867	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.16; 646.83]	J/mol×K	[826.58; 1043.17]
Cp,gas	599.16	J/mol×K	826.58	Joback Calculated Property
Cp,gas	609.53	J/mol×K	862.68	Joback Calculated Property
Cp,gas	618.92	J/mol×K	898.78	Joback Calculated Property
Cp,gas	627.34	J/mol×K	934.87	Joback Calculated Property
Cp,gas	634.79	J/mol×K	970.97	Joback Calculated Property
Cp,gas	641.29	J/mol×K	1007.07	Joback Calculated Property
Cp,gas	646.83	J/mol×K	1043.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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