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

InChI

InChI=1S/C16H20BrFO4/c1-2-3-9-21-15(19)5-4-6-16(20)22-11-12-10-13(18)7-8-14(12)17/h7-8,10H,2-6,9,11H2,1H3

InChI Key

LTLUQQSMDUOANH-UHFFFAOYSA-N

Formula

C16H20BrFO4

SMILES

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

Molecular Weight¹

375.23

• 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°	-471.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-819.36	kJ/mol	Joback Calculated Property
ΔfusH°	44.40	kJ/mol	Joback Calculated Property
ΔvapH°	78.74	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	4.145		Crippen Calculated Property
McVol	246.690	ml/mol	McGowan Calculated Property
Pc	1830.98	kPa	Joback Calculated Property
Inp	[2310.00; 2310.00]
Inp	2310.00		NIST
Inp	2310.00		NIST
Tboil	820.13	K	Joback Calculated Property
Tc	1026.85	K	Joback Calculated Property
Tfus	526.25	K	Joback Calculated Property
Vc	0.952	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.98; 757.80]	J/mol×K	[820.13; 1026.85]
Cp,gas	693.98	J/mol×K	820.13	Joback Calculated Property
Cp,gas	706.94	J/mol×K	854.58	Joback Calculated Property
Cp,gas	718.95	J/mol×K	889.04	Joback Calculated Property
Cp,gas	730.02	J/mol×K	923.49	Joback Calculated Property
Cp,gas	740.18	J/mol×K	957.94	Joback Calculated Property
Cp,gas	749.43	J/mol×K	992.39	Joback Calculated Property
Cp,gas	757.80	J/mol×K	1026.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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