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

InChI

InChI=1S/C19H26BrFO4/c1-2-3-4-5-6-12-24-18(22)8-7-9-19(23)25-14-15-13-16(21)10-11-17(15)20/h10-11,13H,2-9,12,14H2,1H3

InChI Key

RPAFONNINAFYJS-UHFFFAOYSA-N

Formula

C19H26BrFO4

SMILES

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

Molecular Weight¹

417.31

• 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°	-446.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-881.28	kJ/mol	Joback Calculated Property
ΔfusH°	52.17	kJ/mol	Joback Calculated Property
ΔvapH°	85.42	kJ/mol	Joback Calculated Property
log10WS	-6.59		Crippen Calculated Property
logPoct/wat	5.315		Crippen Calculated Property
McVol	288.960	ml/mol	McGowan Calculated Property
Pc	1451.25	kPa	Joback Calculated Property
Inp	[2613.00; 2613.00]
Inp	2613.00		NIST
Inp	2613.00		NIST
Tboil	888.77	K	Joback Calculated Property
Tc	1096.25	K	Joback Calculated Property
Tfus	560.06	K	Joback Calculated Property
Vc	1.119	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[865.58; 932.65]	J/mol×K	[888.77; 1096.25]
Cp,gas	865.58	J/mol×K	888.77	Joback Calculated Property
Cp,gas	879.37	J/mol×K	923.35	Joback Calculated Property
Cp,gas	892.08	J/mol×K	957.93	Joback Calculated Property
Cp,gas	903.74	J/mol×K	992.51	Joback Calculated Property
Cp,gas	914.37	J/mol×K	1027.09	Joback Calculated Property
Cp,gas	924.00	J/mol×K	1061.67	Joback Calculated Property
Cp,gas	932.65	J/mol×K	1096.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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