Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 3-fluorophenyl ester

InChI

InChI=1S/C17H13ClF2O4/c18-13-6-2-7-14(20)17(13)24-16(22)9-3-8-15(21)23-12-5-1-4-11(19)10-12/h1-2,4-7,10H,3,8-9H2

InChI Key

URHXPFSRNFTWCJ-UHFFFAOYSA-N

Formula

C17H13ClF2O4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)Oc1cccc(F)c1

Molecular Weight¹

354.73

• 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	0.8347		Relay (1.0) Calculated Property
ΔfG°	-581.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-889.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.63	kJ/mol	Joback Calculated Property
ΔvapH°	104.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	4.299		Crippen Calculated Property
McVol	233.530	ml/mol	McGowan Calculated Property
Pc	1944.08	kPa	Joback Calculated Property
Inp	[2403.00; 2403.00]
Inp	2403.00		NIST
Inp	2403.00		NIST
Tboil	626.73	K	Relay (1.0) Calculated Property
Tc	895.13	K	Relay (1.0) Calculated Property
Tfus	330.51	K	Relay (1.0) Calculated Property
Vc	0.856	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[647.75; 699.10]	J/mol×K	[845.21; 1065.97]
Cp,gas	647.75	J/mol×K	845.21	Joback Calculated Property
Cp,gas	658.94	J/mol×K	882.00	Joback Calculated Property
Cp,gas	669.05	J/mol×K	918.80	Joback Calculated Property
Cp,gas	678.11	J/mol×K	955.59	Joback Calculated Property
Cp,gas	686.12	J/mol×K	992.38	Joback Calculated Property
Cp,gas	693.11	J/mol×K	1029.17	Joback Calculated Property
Cp,gas	699.10	J/mol×K	1065.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 3-fluorophenyl ester.

Sources

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

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