Chemical Properties of Glutaric acid, 2,2,2-triluoroethyl heptadecyl ester

InChI

InChI=1S/C24H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-22(28)18-17-19-23(29)31-21-24(25,26)27/h2-21H2,1H3

InChI Key

MSJWAKIIAGAWLA-UHFFFAOYSA-N

Formula

C24H43F3O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)F

Molecular Weight¹

452.59

• 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°	-898.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1625.37	kJ/mol	Joback Calculated Property
ΔfusH°	65.32	kJ/mol	Joback Calculated Property
ΔvapH°	83.58	kJ/mol	Joback Calculated Property
log10WS	-8.26		Crippen Calculated Property
logPoct/wat	7.677		Crippen Calculated Property
McVol	369.210	ml/mol	McGowan Calculated Property
Pc	795.28	kPa	Joback Calculated Property
Inp	[2599.00; 2599.00]
Inp	2599.00		NIST
Inp	2599.00		NIST
Tboil	895.68	K	Joback Calculated Property
Tc	1101.29	K	Joback Calculated Property
Tfus	508.75	K	Joback Calculated Property
Vc	1.470	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1238.83; 1338.79]	J/mol×K	[895.68; 1101.29]
Cp,gas	1238.83	J/mol×K	895.68	Joback Calculated Property
Cp,gas	1258.74	J/mol×K	929.95	Joback Calculated Property
Cp,gas	1277.28	J/mol×K	964.22	Joback Calculated Property
Cp,gas	1294.50	J/mol×K	998.48	Joback Calculated Property
Cp,gas	1310.45	J/mol×K	1032.75	Joback Calculated Property
Cp,gas	1325.20	J/mol×K	1067.02	Joback Calculated Property
Cp,gas	1338.79	J/mol×K	1101.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,2-triluoroethyl heptadecyl ester.

Sources

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

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