Chemical Properties of Glutaric acid, 4-(trifluoromethoxy)benzyl tridecyl ester

InChI

InChI=1S/C26H39F3O5/c1-2-3-4-5-6-7-8-9-10-11-12-20-32-24(30)14-13-15-25(31)33-21-22-16-18-23(19-17-22)34-26(27,28)29/h16-19H,2-15,20-21H2,1H3

InChI Key

KPGJGJSUCGDRDI-UHFFFAOYSA-N

Formula

C26H39F3O5

SMILES

CCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

488.58

• 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°	-883.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1573.81	kJ/mol	Joback Calculated Property
ΔfusH°	65.34	kJ/mol	Joback Calculated Property
ΔvapH°	93.38	kJ/mol	Joback Calculated Property
log10WS	-8.89		Crippen Calculated Property
logPoct/wat	7.653		Crippen Calculated Property
McVol	379.500	ml/mol	McGowan Calculated Property
Pc	845.54	kPa	Joback Calculated Property
Inp	[2975.00; 2975.00]
Inp	2975.00		NIST
Inp	2975.00		NIST
Tboil	995.52	K	Joback Calculated Property
Tc	1224.52	K	Joback Calculated Property
Tfus	592.46	K	Joback Calculated Property
Vc	1.492	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1293.29; 1370.15]	J/mol×K	[995.52; 1224.52]
Cp,gas	1293.29	J/mol×K	995.52	Joback Calculated Property
Cp,gas	1310.02	J/mol×K	1033.69	Joback Calculated Property
Cp,gas	1325.09	J/mol×K	1071.85	Joback Calculated Property
Cp,gas	1338.57	J/mol×K	1110.02	Joback Calculated Property
Cp,gas	1350.53	J/mol×K	1148.19	Joback Calculated Property
Cp,gas	1361.03	J/mol×K	1186.35	Joback Calculated Property
Cp,gas	1370.15	J/mol×K	1224.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-(trifluoromethoxy)benzyl tridecyl ester.

Sources

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

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