Chemical Properties of Glutaric acid, 2,6-difluoro-4-bromobenzyl hexadecyl ester

InChI

InChI=1S/C28H43BrF2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-34-27(32)17-16-18-28(33)35-22-24-25(30)20-23(29)21-26(24)31/h20-21H,2-19,22H2,1H3

InChI Key

IXLBYCHIDJSIEO-UHFFFAOYSA-N

Formula

C28H43BrF2O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1c(F)cc(Br)cc1F

Molecular Weight¹

561.54

• 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°	-574.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1274.62	kJ/mol	Joback Calculated Property
ΔfusH°	78.17	kJ/mol	Joback Calculated Property
ΔvapH°	105.30	kJ/mol	Joback Calculated Property
log10WS	-10.69		Crippen Calculated Property
logPoct/wat	8.965		Crippen Calculated Property
McVol	417.540	ml/mol	McGowan Calculated Property
Pc	793.94	kPa	Joback Calculated Property
Inp	[3521.00; 3521.00]
Inp	3521.00		NIST
Inp	3521.00		NIST
Tboil	1098.94	K	Joback Calculated Property
Tc	1365.42	K	Joback Calculated Property
Tfus	674.60	K	Joback Calculated Property
Vc	1.641	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1419.07; 1489.07]	J/mol×K	[1098.94; 1365.42]
Cp,gas	1419.07	J/mol×K	1098.94	Joback Calculated Property
Cp,gas	1435.55	J/mol×K	1143.35	Joback Calculated Property
Cp,gas	1449.96	J/mol×K	1187.77	Joback Calculated Property
Cp,gas	1462.42	J/mol×K	1232.18	Joback Calculated Property
Cp,gas	1473.03	J/mol×K	1276.59	Joback Calculated Property
Cp,gas	1481.88	J/mol×K	1321.00	Joback Calculated Property
Cp,gas	1489.07	J/mol×K	1365.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,6-difluoro-4-bromobenzyl hexadecyl ester.

Sources

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

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