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

InChI

InChI=1S/C14H16BrFO4/c1-2-19-13(17)4-3-5-14(18)20-9-10-8-11(16)6-7-12(10)15/h6-8H,2-5,9H2,1H3

InChI Key

PZHWRTHGTKHXSG-UHFFFAOYSA-N

Formula

C14H16BrFO4

SMILES

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

Molecular Weight¹

347.18

• 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°	-488.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-778.08	kJ/mol	Joback Calculated Property
ΔfusH°	39.22	kJ/mol	Joback Calculated Property
ΔvapH°	74.29	kJ/mol	Joback Calculated Property
log10WS	-4.50		Crippen Calculated Property
logPoct/wat	3.365		Crippen Calculated Property
McVol	218.510	ml/mol	McGowan Calculated Property
Pc	2173.43	kPa	Joback Calculated Property
Inp	[2112.00; 2112.00]
Inp	2112.00		NIST
Inp	2112.00		NIST
Tboil	774.37	K	Joback Calculated Property
Tc	983.85	K	Joback Calculated Property
Tfus	503.71	K	Joback Calculated Property
Vc	0.840	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[584.14; 644.76]	J/mol×K	[774.37; 983.85]
Cp,gas	584.14	J/mol×K	774.37	Joback Calculated Property
Cp,gas	596.40	J/mol×K	809.28	Joback Calculated Property
Cp,gas	607.77	J/mol×K	844.20	Joback Calculated Property
Cp,gas	618.29	J/mol×K	879.11	Joback Calculated Property
Cp,gas	627.95	J/mol×K	914.02	Joback Calculated Property
Cp,gas	636.77	J/mol×K	948.93	Joback Calculated Property
Cp,gas	644.76	J/mol×K	983.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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