Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl octadecyl ester

InChI

InChI=1S/C26H47F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-24(30)20-19-21-25(31)33-23(2)26(27,28)29/h23H,3-22H2,1-2H3

InChI Key

VRSJXETWDULVLL-UHFFFAOYSA-N

Formula

C26H47F3O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

480.64

• 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°	-883.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1671.93	kJ/mol	Joback Calculated Property
ΔfusH°	66.97	kJ/mol	Joback Calculated Property
ΔvapH°	87.65	kJ/mol	Joback Calculated Property
log10WS	-9.21		Crippen Calculated Property
logPoct/wat	8.455		Crippen Calculated Property
McVol	397.390	ml/mol	McGowan Calculated Property
Pc	718.76	kPa	Joback Calculated Property
Inp	[2747.00; 2747.00]
Inp	2747.00		NIST
Inp	2747.00		NIST
Tboil	941.00	K	Joback Calculated Property
Tc	1163.51	K	Joback Calculated Property
Tfus	516.29	K	Joback Calculated Property
Vc	1.577	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1365.97; 1470.26]	J/mol×K	[941.00; 1163.51]
Cp,gas	1365.97	J/mol×K	941.00	Joback Calculated Property
Cp,gas	1387.19	J/mol×K	978.08	Joback Calculated Property
Cp,gas	1406.77	J/mol×K	1015.17	Joback Calculated Property
Cp,gas	1424.78	J/mol×K	1052.25	Joback Calculated Property
Cp,gas	1441.32	J/mol×K	1089.34	Joback Calculated Property
Cp,gas	1456.45	J/mol×K	1126.42	Joback Calculated Property
Cp,gas	1470.26	J/mol×K	1163.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl octadecyl ester.

Sources

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

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