Chemical Properties of Glutaric acid, 3-chlorophenyl 2-bromo-4-fluorophenyl ester

InChI

InChI=1S/C17H13BrClFO4/c18-14-10-12(20)7-8-15(14)24-17(22)6-2-5-16(21)23-13-4-1-3-11(19)9-13/h1,3-4,7-10H,2,5-6H2

InChI Key

UDBAGKVRDLOWPJ-UHFFFAOYSA-N

Formula

C17H13BrClFO4

SMILES

O=C(CCCC(=O)Oc1ccc(F)cc1Br)Oc1cccc(Cl)c1

Molecular Weight¹

415.64

• 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	0.8572		Relay (1.0) Calculated Property
ΔfG°	-372.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-722.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.84	kJ/mol	Joback Calculated Property
ΔvapH°	110.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-5.98		Relay (1.0) Calculated Property
logPoct/wat	4.923		Crippen Calculated Property
McVol	249.260	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[2698.00; 2698.00]
Inp	2698.00		NIST
Inp	2698.00		NIST
Tboil	663.47	K	Relay (1.0) Calculated Property
Tc	920.51	K	Relay (1.0) Calculated Property
Tfus	332.90	K	Relay (1.0) Calculated Property
Vc	0.888	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.34; 712.10]	J/mol×K	[912.10; 1149.35]
Cp,gas	669.34	J/mol×K	912.10	Joback Calculated Property
Cp,gas	679.16	J/mol×K	951.64	Joback Calculated Property
Cp,gas	687.86	J/mol×K	991.18	Joback Calculated Property
Cp,gas	695.47	J/mol×K	1030.72	Joback Calculated Property
Cp,gas	702.03	J/mol×K	1070.27	Joback Calculated Property
Cp,gas	707.56	J/mol×K	1109.81	Joback Calculated Property
Cp,gas	712.10	J/mol×K	1149.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 2-bromo-4-fluorophenyl ester.

Sources

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

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