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

InChI

InChI=1S/C18H16BrFO5/c1-23-16-11-12(19)9-10-15(16)25-18(22)8-4-7-17(21)24-14-6-3-2-5-13(14)20/h2-3,5-6,9-11H,4,7-8H2,1H3

InChI Key

KFQSWCAOTWPLHN-UHFFFAOYSA-N

Formula

C18H16BrFO5

SMILES

COc1cc(Br)ccc1OC(=O)CCCC(=O)Oc1ccccc1F

Molecular Weight¹

411.22

• 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°	-456.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-767.80	kJ/mol	Joback Calculated Property
ΔfusH°	44.42	kJ/mol	Joback Calculated Property
ΔvapH°	88.54	kJ/mol	Joback Calculated Property
log10WS	-5.78		Crippen Calculated Property
logPoct/wat	4.278		Crippen Calculated Property
McVol	256.980	ml/mol	McGowan Calculated Property
Pc	2010.90	kPa	Joback Calculated Property
Inp	[2796.00; 2796.00]
Inp	2796.00		NIST
Inp	2796.00		NIST
Tboil	919.97	K	Joback Calculated Property
Tc	1150.85	K	Joback Calculated Property
Tfus	609.96	K	Joback Calculated Property
Vc	0.974	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[730.86; 775.63]	J/mol×K	[919.97; 1150.85]
Cp,gas	730.86	J/mol×K	919.97	Joback Calculated Property
Cp,gas	741.46	J/mol×K	958.45	Joback Calculated Property
Cp,gas	750.78	J/mol×K	996.93	Joback Calculated Property
Cp,gas	758.85	J/mol×K	1035.41	Joback Calculated Property
Cp,gas	765.67	J/mol×K	1073.89	Joback Calculated Property
Cp,gas	771.26	J/mol×K	1112.37	Joback Calculated Property
Cp,gas	775.63	J/mol×K	1150.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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