Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 3-fluorophenyl ester

InChI

InChI=1S/C17H13Cl2FO4/c18-13-6-2-7-14(17(13)19)24-16(22)9-3-8-15(21)23-12-5-1-4-11(20)10-12/h1-2,4-7,10H,3,8-9H2

InChI Key

VPNNHNJMYQCDPS-UHFFFAOYSA-N

Formula

C17H13Cl2FO4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)Oc1cccc(F)c1

Molecular Weight¹

371.19

• 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	0.8496		Relay (1.0) Calculated Property
ΔfG°	-398.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-781.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.75	kJ/mol	Joback Calculated Property
ΔvapH°	109.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-5.77		Relay (1.0) Calculated Property
logPoct/wat	4.814		Crippen Calculated Property
McVol	244.000	ml/mol	McGowan Calculated Property
Pc	1957.87	kPa	Joback Calculated Property
Inp	[2684.00; 2684.00]
Inp	2684.00		NIST
Inp	2684.00		NIST
Tboil	652.83	K	Relay (1.0) Calculated Property
Tc	921.87	K	Relay (1.0) Calculated Property
Tfus	338.80	K	Relay (1.0) Calculated Property
Vc	0.886	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.94; 706.44]	J/mol×K	[883.37; 1114.35]
Cp,gas	660.94	J/mol×K	883.37	Joback Calculated Property
Cp,gas	671.30	J/mol×K	921.87	Joback Calculated Property
Cp,gas	680.53	J/mol×K	960.36	Joback Calculated Property
Cp,gas	688.63	J/mol×K	998.86	Joback Calculated Property
Cp,gas	695.64	J/mol×K	1037.36	Joback Calculated Property
Cp,gas	701.57	J/mol×K	1075.86	Joback Calculated Property
Cp,gas	706.44	J/mol×K	1114.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 3-fluorophenyl ester.

Sources

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

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