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

InChI

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

InChI Key

MMRFYCGEMSVNCC-UHFFFAOYSA-N

Formula

C17H13BrClFO4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)Oc1ccc(Br)cc1

Molecular Weight¹

415.64

• 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°	-372.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-630.68	kJ/mol	Joback Calculated Property
ΔfusH°	44.84	kJ/mol	Joback Calculated Property
ΔvapH°	88.29	kJ/mol	Joback Calculated Property
log10WS	-6.35		Crippen 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	[2793.00; 2793.00]
Inp	2793.00		NIST
Inp	2793.00		NIST
Tboil	912.10	K	Joback Calculated Property
Tc	1149.35	K	Joback Calculated Property
Tfus	606.38	K	Joback Calculated Property
Vc	0.949	m3/kmol	Joback 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, 2-chloro-6-fluorophenyl 4-bromophenyl ester.

Sources

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

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