Chemical Properties of Glutaric acid, pentadecyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C27H40F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-34-23(32)16-15-17-24(33)35-20-21-19-22(28)26(30)27(31)25(21)29/h19H,2-18,20H2,1H3

InChI Key

MJTNIAMBFDNMGH-UHFFFAOYSA-N

Formula

C27H40F4O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

504.60

• 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°	-996.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1684.00	kJ/mol	Joback Calculated Property
ΔfusH°	76.06	kJ/mol	Joback Calculated Property
ΔvapH°	95.66	kJ/mol	Joback Calculated Property
log10WS	-9.77		Crippen Calculated Property
logPoct/wat	8.091		Crippen Calculated Property
McVol	389.490	ml/mol	McGowan Calculated Property
Pc	760.16	kPa	Joback Calculated Property
Inp	[3157.00; 3157.00]
Inp	3157.00		NIST
Inp	3157.00		NIST
Tboil	1013.42	K	Joback Calculated Property
Tc	1257.85	K	Joback Calculated Property
Tfus	617.23	K	Joback Calculated Property
Vc	1.560	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1331.25; 1409.67]	J/mol×K	[1013.42; 1257.85]
Cp,gas	1331.25	J/mol×K	1013.42	Joback Calculated Property
Cp,gas	1349.13	J/mol×K	1054.16	Joback Calculated Property
Cp,gas	1365.02	J/mol×K	1094.90	Joback Calculated Property
Cp,gas	1378.96	J/mol×K	1135.64	Joback Calculated Property
Cp,gas	1391.01	J/mol×K	1176.37	Joback Calculated Property
Cp,gas	1401.23	J/mol×K	1217.11	Joback Calculated Property
Cp,gas	1409.67	J/mol×K	1257.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, pentadecyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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