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

InChI

InChI=1S/C25H45F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-23(29)19-18-20-24(30)32-22-25(26,27)28/h2-22H2,1H3

InChI Key

UASPBCMXJCKPLM-UHFFFAOYSA-N

Formula

C25H45F3O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)F

Molecular Weight¹

466.62

• 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°	-889.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1646.01	kJ/mol	Joback Calculated Property
ΔfusH°	67.91	kJ/mol	Joback Calculated Property
ΔvapH°	85.81	kJ/mol	Joback Calculated Property
log10WS	-8.67		Crippen Calculated Property
logPoct/wat	8.067		Crippen Calculated Property
McVol	383.300	ml/mol	McGowan Calculated Property
Pc	753.91	kPa	Joback Calculated Property
Inp	[2696.00; 2696.00]
Inp	2696.00		NIST
Inp	2696.00		NIST
Tboil	918.56	K	Joback Calculated Property
Tc	1133.04	K	Joback Calculated Property
Tfus	520.02	K	Joback Calculated Property
Vc	1.526	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1301.96; 1404.61]	J/mol×K	[918.56; 1133.04]
Cp,gas	1301.96	J/mol×K	918.56	Joback Calculated Property
Cp,gas	1322.61	J/mol×K	954.31	Joback Calculated Property
Cp,gas	1341.75	J/mol×K	990.05	Joback Calculated Property
Cp,gas	1359.46	J/mol×K	1025.80	Joback Calculated Property
Cp,gas	1375.79	J/mol×K	1061.54	Joback Calculated Property
Cp,gas	1390.82	J/mol×K	1097.29	Joback Calculated Property
Cp,gas	1404.61	J/mol×K	1133.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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