Chemical Properties of Glutaric acid, 2-bromo-5-fluorobenzyl hexyl ester

InChI

InChI=1S/C18H24BrFO4/c1-2-3-4-5-11-23-17(21)7-6-8-18(22)24-13-14-12-15(20)9-10-16(14)19/h9-10,12H,2-8,11,13H2,1H3

InChI Key

XNEFJYJJKSLNFS-UHFFFAOYSA-N

Formula

C18H24BrFO4

SMILES

CCCCCCOC(=O)CCCC(=O)OCc1cc(F)ccc1Br

Molecular Weight¹

403.28

• 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°	-454.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-860.64	kJ/mol	Joback Calculated Property
ΔfusH°	49.58	kJ/mol	Joback Calculated Property
ΔvapH°	83.19	kJ/mol	Joback Calculated Property
log10WS	-6.17		Crippen Calculated Property
logPoct/wat	4.925		Crippen Calculated Property
McVol	274.870	ml/mol	McGowan Calculated Property
Pc	1563.52	kPa	Joback Calculated Property
Inp	[2511.00; 2511.00]
Inp	2511.00		NIST
Inp	2511.00		NIST
Tboil	865.89	K	Joback Calculated Property
Tc	1072.39	K	Joback Calculated Property
Tfus	548.79	K	Joback Calculated Property
Vc	1.063	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[807.56; 873.70]	J/mol×K	[865.89; 1072.39]
Cp,gas	807.56	J/mol×K	865.89	Joback Calculated Property
Cp,gas	821.09	J/mol×K	900.31	Joback Calculated Property
Cp,gas	833.59	J/mol×K	934.72	Joback Calculated Property
Cp,gas	845.08	J/mol×K	969.14	Joback Calculated Property
Cp,gas	855.58	J/mol×K	1003.56	Joback Calculated Property
Cp,gas	865.11	J/mol×K	1037.98	Joback Calculated Property
Cp,gas	873.70	J/mol×K	1072.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-bromo-5-fluorobenzyl hexyl ester.

Sources

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

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