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

InChI

InChI=1S/C27H42BrFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-32-26(30)16-15-17-27(31)33-22-23-21-24(29)18-19-25(23)28/h18-19,21H,2-17,20,22H2,1H3

InChI Key

CFORNKKYXJLSKX-UHFFFAOYSA-N

Formula

C27H42BrFO4

SMILES

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

Molecular Weight¹

529.52

• 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°	-378.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1046.40	kJ/mol	Joback Calculated Property
ΔfusH°	72.89	kJ/mol	Joback Calculated Property
ΔvapH°	103.23	kJ/mol	Joback Calculated Property
log10WS	-9.94		Crippen Calculated Property
logPoct/wat	8.436		Crippen Calculated Property
McVol	401.680	ml/mol	McGowan Calculated Property
Pc	868.62	kPa	Joback Calculated Property
Inp	[3449.00; 3449.00]
Inp	3449.00		NIST
Inp	3449.00		NIST
Tboil	1071.81	K	Joback Calculated Property
Tc	1320.88	K	Joback Calculated Property
Tfus	650.22	K	Joback Calculated Property
Vc	1.567	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1351.21; 1423.51]	J/mol×K	[1071.81; 1320.88]
Cp,gas	1351.21	J/mol×K	1071.81	Joback Calculated Property
Cp,gas	1367.37	J/mol×K	1113.32	Joback Calculated Property
Cp,gas	1381.77	J/mol×K	1154.83	Joback Calculated Property
Cp,gas	1394.50	J/mol×K	1196.35	Joback Calculated Property
Cp,gas	1405.65	J/mol×K	1237.86	Joback Calculated Property
Cp,gas	1415.29	J/mol×K	1279.37	Joback Calculated Property
Cp,gas	1423.51	J/mol×K	1320.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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