Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 2-bromo-4-fluorophenyl ester

InChI

InChI=1S/C17H12BrClF2O4/c18-11-9-10(20)7-8-14(11)24-15(22)5-2-6-16(23)25-17-12(19)3-1-4-13(17)21/h1,3-4,7-9H,2,5-6H2

InChI Key

ZRNQKGBLGDWOPW-UHFFFAOYSA-N

Formula

C17H12BrClF2O4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)Oc1ccc(F)cc1Br

Molecular Weight¹

433.63

• 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).
• 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
ΔfG°	-576.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-838.26	kJ/mol	Joback Calculated Property
ΔfusH°	47.53	kJ/mol	Joback Calculated Property
ΔvapH°	88.13	kJ/mol	Joback Calculated Property
log10WS	-6.68		Crippen Calculated Property
logPoct/wat	5.062		Crippen Calculated Property
McVol	251.030	ml/mol	McGowan Calculated Property
Pc	2040.07	kPa	Joback Calculated Property
Inp	[2648.00; 2648.00]
Inp	2648.00		NIST
Inp	2648.00		NIST
Tboil	916.35	K	Joback Calculated Property
Tc	1147.55	K	Joback Calculated Property
Tfus	619.49	K	Joback Calculated Property
Vc	0.967	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[674.80; 715.09]	J/mol×K	[916.35; 1147.55]
Cp,gas	674.80	J/mol×K	916.35	Joback Calculated Property
Cp,gas	684.13	J/mol×K	954.88	Joback Calculated Property
Cp,gas	692.38	J/mol×K	993.42	Joback Calculated Property
Cp,gas	699.58	J/mol×K	1031.95	Joback Calculated Property
Cp,gas	705.75	J/mol×K	1070.48	Joback Calculated Property
Cp,gas	710.91	J/mol×K	1109.02	Joback Calculated Property
Cp,gas	715.09	J/mol×K	1147.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 2-bromo-4-fluorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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