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

InChI

InChI=1S/C23H41F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-29-21(27)17-16-18-22(28)30-20(2)23(24,25)26/h20H,3-19H2,1-2H3

InChI Key

XBPISTPHJJNWPX-UHFFFAOYSA-N

Formula

C23H41F3O4

SMILES

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

Molecular Weight¹

438.56

• 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°	-909.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1610.01	kJ/mol	Joback Calculated Property
ΔfusH°	59.20	kJ/mol	Joback Calculated Property
ΔvapH°	80.97	kJ/mol	Joback Calculated Property
log10WS	-7.95		Crippen Calculated Property
logPoct/wat	7.285		Crippen Calculated Property
McVol	355.120	ml/mol	McGowan Calculated Property
Pc	844.07	kPa	Joback Calculated Property
Inp	[2454.00; 2454.00]
Inp	2454.00		NIST
Inp	2454.00		NIST
Tboil	872.36	K	Joback Calculated Property
Tc	1069.44	K	Joback Calculated Property
Tfus	482.48	K	Joback Calculated Property
Vc	1.409	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1176.71; 1273.55]	J/mol×K	[872.36; 1069.44]
Cp,gas	1176.71	J/mol×K	872.36	Joback Calculated Property
Cp,gas	1195.85	J/mol×K	905.21	Joback Calculated Property
Cp,gas	1213.73	J/mol×K	938.05	Joback Calculated Property
Cp,gas	1230.39	J/mol×K	970.90	Joback Calculated Property
Cp,gas	1245.89	J/mol×K	1003.75	Joback Calculated Property
Cp,gas	1260.25	J/mol×K	1036.59	Joback Calculated Property
Cp,gas	1273.55	J/mol×K	1069.44	Joback Calculated Property

Similar Compounds

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

Sources

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

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