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

InChI

InChI=1S/C17H9ClF6O4/c18-8-2-1-3-9(19)17(8)28-11(26)5-4-10(25)27-6-7-12(20)14(22)16(24)15(23)13(7)21/h1-3H,4-6H2

InChI Key

FZDQWOVVDHXYEW-UHFFFAOYSA-N

Formula

C17H9ClF6O4

SMILES

O=C(CCC(=O)Oc1c(F)cccc1Cl)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

426.69

• 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	0.8691		Relay (1.0) Calculated Property
ΔfG°	-1398.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1466.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.40	kJ/mol	Joback Calculated Property
ΔvapH°	100.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-7.03		Relay (1.0) Calculated Property
logPoct/wat	4.604		Crippen Calculated Property
McVol	240.610	ml/mol	McGowan Calculated Property
Pc	1589.81	kPa	Joback Calculated Property
Inp	[2266.00; 2266.00]
Inp	2266.00		NIST
Inp	2266.00		NIST
Tboil	605.43	K	Relay (1.0) Calculated Property
Tc	845.06	K	Relay (1.0) Calculated Property
Tfus	358.47	K	Relay (1.0) Calculated Property
Vc	0.890	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.21; 713.83]	J/mol×K	[862.21; 1065.19]
Cp,gas	671.21	J/mol×K	862.21	Joback Calculated Property
Cp,gas	680.61	J/mol×K	896.04	Joback Calculated Property
Cp,gas	689.10	J/mol×K	929.87	Joback Calculated Property
Cp,gas	696.68	J/mol×K	963.70	Joback Calculated Property
Cp,gas	703.32	J/mol×K	997.53	Joback Calculated Property
Cp,gas	709.04	J/mol×K	1031.36	Joback Calculated Property
Cp,gas	713.83	J/mol×K	1065.19	Joback Calculated Property

Similar Compounds

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

Sources

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

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