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

InChI

InChI=1S/C27H49F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-33-25(31)21-20-22-26(32)34-24-27(28,29)30/h2-24H2,1H3

InChI Key

PBNINDCQRGMTPP-UHFFFAOYSA-N

Formula

C27H49F3O4

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)F

Molecular Weight¹

494.67

• 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°	-872.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1687.29	kJ/mol	Joback Calculated Property
ΔfusH°	73.09	kJ/mol	Joback Calculated Property
ΔvapH°	90.26	kJ/mol	Joback Calculated Property
log10WS	-9.51		Crippen Calculated Property
logPoct/wat	8.847		Crippen Calculated Property
McVol	411.480	ml/mol	McGowan Calculated Property
Pc	680.29	kPa	Joback Calculated Property
Inp	[2889.00; 2889.00]
Inp	2889.00		NIST
Inp	2889.00		NIST
Tboil	964.32	K	Joback Calculated Property
Tc	1200.34	K	Joback Calculated Property
Tfus	542.56	K	Joback Calculated Property
Vc	1.639	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1429.69; 1538.11]	J/mol×K	[964.32; 1200.34]
Cp,gas	1429.69	J/mol×K	964.32	Joback Calculated Property
Cp,gas	1452.00	J/mol×K	1003.66	Joback Calculated Property
Cp,gas	1472.48	J/mol×K	1042.99	Joback Calculated Property
Cp,gas	1491.23	J/mol×K	1082.33	Joback Calculated Property
Cp,gas	1508.36	J/mol×K	1121.67	Joback Calculated Property
Cp,gas	1523.95	J/mol×K	1161.00	Joback Calculated Property
Cp,gas	1538.11	J/mol×K	1200.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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