Chemical Properties of Glutaric acid, hexadecyl 2,3,6-trifluorobenzyl ester

InChI

InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-34-26(32)17-16-18-27(33)35-22-23-24(29)19-20-25(30)28(23)31/h19-20H,2-18,21-22H2,1H3

InChI Key

BOGOXSHUFYNQMD-UHFFFAOYSA-N

Formula

C28H43F3O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1c(F)ccc(F)c1F

Molecular Weight¹

500.63

• 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°	-783.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1497.06	kJ/mol	Joback Calculated Property
ΔfusH°	75.96	kJ/mol	Joback Calculated Property
ΔvapH°	98.04	kJ/mol	Joback Calculated Property
log10WS	-9.86		Crippen Calculated Property
logPoct/wat	8.342		Crippen Calculated Property
McVol	401.810	ml/mol	McGowan Calculated Property
Pc	745.29	kPa	Joback Calculated Property
Inp	[3263.00; 3263.00]
Inp	3263.00		NIST
Inp	3263.00		NIST
Tboil	1032.05	K	Joback Calculated Property
Tc	1281.55	K	Joback Calculated Property
Tfus	615.39	K	Joback Calculated Property
Vc	1.597	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1388.07; 1468.51]	J/mol×K	[1032.05; 1281.55]
Cp,gas	1388.07	J/mol×K	1032.05	Joback Calculated Property
Cp,gas	1406.41	J/mol×K	1073.63	Joback Calculated Property
Cp,gas	1422.69	J/mol×K	1115.22	Joback Calculated Property
Cp,gas	1436.97	J/mol×K	1156.80	Joback Calculated Property
Cp,gas	1449.32	J/mol×K	1198.38	Joback Calculated Property
Cp,gas	1459.81	J/mol×K	1239.97	Joback Calculated Property
Cp,gas	1468.51	J/mol×K	1281.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexadecyl 2,3,6-trifluorobenzyl ester.

Sources

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

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