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

InChI

InChI=1S/C27H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-33-25(31)16-15-17-26(32)34-21-22-23(28)18-19-24(29)27(22)30/h18-19H,2-17,20-21H2,1H3

InChI Key

LGSALPVTKPQNJT-UHFFFAOYSA-N

Formula

C27H41F3O4

SMILES

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

Molecular Weight¹

486.61

• 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°	-792.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1476.42	kJ/mol	Joback Calculated Property
ΔfusH°	73.37	kJ/mol	Joback Calculated Property
ΔvapH°	95.82	kJ/mol	Joback Calculated Property
log10WS	-9.44		Crippen Calculated Property
logPoct/wat	7.952		Crippen Calculated Property
McVol	387.720	ml/mol	McGowan Calculated Property
Pc	785.95	kPa	Joback Calculated Property
Inp	[3161.00; 3161.00]
Inp	3161.00		NIST
Inp	3161.00		NIST
Tboil	1009.17	K	Joback Calculated Property
Tc	1247.41	K	Joback Calculated Property
Tfus	604.12	K	Joback Calculated Property
Vc	1.542	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1325.28; 1405.45]	J/mol×K	[1009.17; 1247.41]
Cp,gas	1325.28	J/mol×K	1009.17	Joback Calculated Property
Cp,gas	1343.13	J/mol×K	1048.88	Joback Calculated Property
Cp,gas	1359.11	J/mol×K	1088.58	Joback Calculated Property
Cp,gas	1373.27	J/mol×K	1128.29	Joback Calculated Property
Cp,gas	1385.68	J/mol×K	1168.00	Joback Calculated Property
Cp,gas	1396.39	J/mol×K	1207.71	Joback Calculated Property
Cp,gas	1405.45	J/mol×K	1247.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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