Chemical Properties of Succinic acid, 2,3-dichlorophenyl pentafluorobenzyl ester

InChI

InChI=1S/C17H9Cl2F5O4/c18-8-2-1-3-9(12(8)19)28-11(26)5-4-10(25)27-6-7-13(20)15(22)17(24)16(23)14(7)21/h1-3H,4-6H2

InChI Key

HUAOMEIAKQEZEL-UHFFFAOYSA-N

Formula

C17H9Cl2F5O4

SMILES

O=C(CCC(=O)Oc1cccc(Cl)c1Cl)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

443.15

• 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°	-1216.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1503.07	kJ/mol	Joback Calculated Property
ΔfusH°	54.51	kJ/mol	Joback Calculated Property
ΔvapH°	85.62	kJ/mol	Joback Calculated Property
log10WS	-7.04		Crippen Calculated Property
logPoct/wat	5.118		Crippen Calculated Property
McVol	251.080	ml/mol	McGowan Calculated Property
Pc	1600.00	kPa	Joback Calculated Property
Inp	[2523.00; 2523.00]
Inp	2523.00		NIST
Inp	2523.00		NIST
Tboil	900.37	K	Joback Calculated Property
Tc	1112.47	K	Joback Calculated Property
Tfus	628.94	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[683.29; 719.93]	J/mol×K	[900.37; 1112.47]
Cp,gas	683.29	J/mol×K	900.37	Joback Calculated Property
Cp,gas	691.88	J/mol×K	935.72	Joback Calculated Property
Cp,gas	699.49	J/mol×K	971.07	Joback Calculated Property
Cp,gas	706.10	J/mol×K	1006.42	Joback Calculated Property
Cp,gas	711.71	J/mol×K	1041.77	Joback Calculated Property
Cp,gas	716.32	J/mol×K	1077.12	Joback Calculated Property
Cp,gas	719.93	J/mol×K	1112.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,3-dichlorophenyl pentafluorobenzyl ester.

Sources

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

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