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

InChI

InChI=1S/C26H40BrFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-31-25(29)15-14-16-26(30)32-21-22-20-23(28)17-18-24(22)27/h17-18,20H,2-16,19,21H2,1H3

InChI Key

NLZCQMCZOJYHSD-UHFFFAOYSA-N

Formula

C26H40BrFO4

SMILES

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

Molecular Weight¹

515.50

• 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°	-387.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-1025.76	kJ/mol	Joback Calculated Property
ΔfusH°	70.30	kJ/mol	Joback Calculated Property
ΔvapH°	101.00	kJ/mol	Joback Calculated Property
log10WS	-9.52		Crippen Calculated Property
logPoct/wat	8.046		Crippen Calculated Property
McVol	387.590	ml/mol	McGowan Calculated Property
Pc	919.95	kPa	Joback Calculated Property
Inp	[3341.00; 3341.00]
Inp	3341.00		NIST
Inp	3341.00		NIST
Tboil	1048.93	K	Joback Calculated Property
Tc	1288.85	K	Joback Calculated Property
Tfus	638.95	K	Joback Calculated Property
Vc	1.512	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1288.90; 1360.64]	J/mol×K	[1048.93; 1288.85]
Cp,gas	1288.90	J/mol×K	1048.93	Joback Calculated Property
Cp,gas	1304.69	J/mol×K	1088.92	Joback Calculated Property
Cp,gas	1318.85	J/mol×K	1128.90	Joback Calculated Property
Cp,gas	1331.45	J/mol×K	1168.89	Joback Calculated Property
Cp,gas	1342.57	J/mol×K	1208.88	Joback Calculated Property
Cp,gas	1352.28	J/mol×K	1248.87	Joback Calculated Property
Cp,gas	1360.64	J/mol×K	1288.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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