Chemical Properties of Succinic acid, 3-chlorophenyl pentafluorobenzyl ester

InChI

InChI=1S/C17H10ClF5O4/c18-8-2-1-3-9(6-8)27-12(25)5-4-11(24)26-7-10-13(19)15(21)17(23)16(22)14(10)20/h1-3,6H,4-5,7H2

InChI Key

WYUMACPUACBMAF-UHFFFAOYSA-N

Formula

C17H10ClF5O4

SMILES

O=C(CCC(=O)Oc1cccc(Cl)c1)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

408.70

• 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	0.8588		Relay (1.0) Calculated Property
ΔfG°	-1194.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1324.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.70	kJ/mol	Joback Calculated Property
ΔvapH°	100.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-6.94		Relay (1.0) Calculated Property
logPoct/wat	4.465		Crippen Calculated Property
McVol	238.840	ml/mol	McGowan Calculated Property
Pc	1668.70	kPa	Joback Calculated Property
Inp	[2315.00; 2315.00]
Inp	2315.00		NIST
Inp	2315.00		NIST
Tboil	631.17	K	Relay (1.0) Calculated Property
Tc	848.23	K	Relay (1.0) Calculated Property
Tfus	338.76	K	Relay (1.0) Calculated Property
Vc	0.874	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[665.41; 709.99]	J/mol×K	[857.96; 1064.21]
Cp,gas	665.41	J/mol×K	857.96	Joback Calculated Property
Cp,gas	675.19	J/mol×K	892.33	Joback Calculated Property
Cp,gas	684.03	J/mol×K	926.71	Joback Calculated Property
Cp,gas	691.93	J/mol×K	961.08	Joback Calculated Property
Cp,gas	698.89	J/mol×K	995.46	Joback Calculated Property
Cp,gas	704.91	J/mol×K	1029.83	Joback Calculated Property
Cp,gas	709.99	J/mol×K	1064.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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