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

InChI

InChI=1S/C17H8Cl3F5O4/c18-6-3-8(19)17(9(20)4-6)29-11(27)2-1-10(26)28-5-7-12(21)14(23)16(25)15(24)13(7)22/h3-4H,1-2,5H2

InChI Key

SEKHNVOOYYWZKW-UHFFFAOYSA-N

Formula

C17H8Cl3F5O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

477.59

• 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	0.9204		Relay (1.0) Calculated Property
ΔfG°	-1237.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1346.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.32	kJ/mol	Joback Calculated Property
ΔvapH°	109.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-8.11		Relay (1.0) Calculated Property
logPoct/wat	5.771		Crippen Calculated Property
McVol	263.320	ml/mol	McGowan Calculated Property
Pc	1535.46	kPa	Joback Calculated Property
Inp	[2581.00; 2581.00]
Inp	2581.00		NIST
Inp	2581.00		NIST
Tboil	625.52	K	Relay (1.0) Calculated Property
Tc	887.37	K	Relay (1.0) Calculated Property
Tfus	369.46	K	Relay (1.0) Calculated Property
Vc	0.956	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[699.12; 727.23]	J/mol×K	[942.78; 1161.15]
Cp,gas	699.12	J/mol×K	942.78	Joback Calculated Property
Cp,gas	706.47	J/mol×K	979.18	Joback Calculated Property
Cp,gas	712.77	J/mol×K	1015.57	Joback Calculated Property
Cp,gas	718.00	J/mol×K	1051.97	Joback Calculated Property
Cp,gas	722.16	J/mol×K	1088.36	Joback Calculated Property
Cp,gas	725.24	J/mol×K	1124.76	Joback Calculated Property
Cp,gas	727.23	J/mol×K	1161.15	Joback Calculated Property

Similar Compounds

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

Sources

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

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