Chemical Properties of Glutaric acid, tridecyl 2,3,6-trifluorobenzyl ester

InChI

InChI=1S/C25H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-31-23(29)14-13-15-24(30)32-19-20-21(26)16-17-22(27)25(20)28/h16-17H,2-15,18-19H2,1H3

InChI Key

IELIOYPKYJQRHG-UHFFFAOYSA-N

Formula

C25H37F3O4

SMILES

CCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1c(F)ccc(F)c1F

Molecular Weight¹

458.55

• 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°	-809.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1435.14	kJ/mol	Joback Calculated Property
ΔfusH°	68.19	kJ/mol	Joback Calculated Property
ΔvapH°	91.37	kJ/mol	Joback Calculated Property
log10WS	-8.61		Crippen Calculated Property
logPoct/wat	7.172		Crippen Calculated Property
McVol	359.540	ml/mol	McGowan Calculated Property
Pc	877.91	kPa	Joback Calculated Property
Inp	[2954.00; 2954.00]
Inp	2954.00		NIST
Inp	2954.00		NIST
Tboil	963.41	K	Joback Calculated Property
Tc	1183.18	K	Joback Calculated Property
Tfus	581.58	K	Joback Calculated Property
Vc	1.429	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1200.79; 1279.87]	J/mol×K	[963.41; 1183.18]
Cp,gas	1200.79	J/mol×K	963.41	Joback Calculated Property
Cp,gas	1217.72	J/mol×K	1000.04	Joback Calculated Property
Cp,gas	1233.10	J/mol×K	1036.67	Joback Calculated Property
Cp,gas	1246.97	J/mol×K	1073.29	Joback Calculated Property
Cp,gas	1259.36	J/mol×K	1109.92	Joback Calculated Property
Cp,gas	1270.32	J/mol×K	1146.55	Joback Calculated Property
Cp,gas	1279.87	J/mol×K	1183.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridecyl 2,3,6-trifluorobenzyl ester.

Sources

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

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