Chemical Properties of Succinic acid, 2,2-dichloroethyl pentafluorobenzyl ester

InChI

InChI=1S/C13H9Cl2F5O4/c14-6(15)4-24-8(22)2-1-7(21)23-3-5-9(16)11(18)13(20)12(19)10(5)17/h6H,1-4H2

InChI Key

NSLMHBWLDXOZFX-UHFFFAOYSA-N

Formula

C13H9Cl2F5O4

SMILES

O=C(CCC(=O)OCC(Cl)Cl)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

395.11

• 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	0.8112		Relay (1.0) Calculated Property
ΔfG°	-1345.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1496.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.37	kJ/mol	Joback Calculated Property
ΔvapH°	90.37	kJ/mol	Relay (1.0) Calculated Property
IE	9.91	eV	Relay (1.0) Calculated Property
log10WS	-6.09		Relay (1.0) Calculated Property
logPoct/wat	3.552		Crippen Calculated Property
McVol	218.480	ml/mol	McGowan Calculated Property
Pc	1723.16	kPa	Joback Calculated Property
Inp	[1985.00; 1985.00]
Inp	1985.00		NIST
Inp	1985.00		NIST
Tboil	580.55	K	Relay (1.0) Calculated Property
Tc	774.72	K	Relay (1.0) Calculated Property
Tfus	340.30	K	Relay (1.0) Calculated Property
Vc	0.793	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[570.48; 617.30]	J/mol×K	[771.77; 961.42]
Cp,gas	570.48	J/mol×K	771.77	Joback Calculated Property
Cp,gas	579.99	J/mol×K	803.38	Joback Calculated Property
Cp,gas	588.82	J/mol×K	834.99	Joback Calculated Property
Cp,gas	596.98	J/mol×K	866.59	Joback Calculated Property
Cp,gas	604.45	J/mol×K	898.20	Joback Calculated Property
Cp,gas	611.23	J/mol×K	929.81	Joback Calculated Property
Cp,gas	617.30	J/mol×K	961.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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