Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-methoxybenzyl ester

InChI

InChI=1S/C18H18F8O5/c1-29-12-7-5-11(6-8-12)9-30-13(27)3-2-4-14(28)31-10-16(21,22)18(25,26)17(23,24)15(19)20/h5-8,15H,2-4,9-10H2,1H3

InChI Key

WVHTUUQVMCBDOM-UHFFFAOYSA-N

Formula

C18H18F8O5

SMILES

COc1ccc(COC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1

Molecular Weight¹

466.32

• 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°	-1921.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-2412.02	kJ/mol	Joback Calculated Property
ΔfusH°	41.66	kJ/mol	Joback Calculated Property
ΔvapH°	68.51	kJ/mol	Joback Calculated Property
log10WS	-5.64		Crippen Calculated Property
logPoct/wat	4.623		Crippen Calculated Property
McVol	275.630	ml/mol	McGowan Calculated Property
Pc	1231.15	kPa	Joback Calculated Property
Inp	[2176.00; 2176.00]
Inp	2176.00		NIST
Inp	2176.00		NIST
Tboil	801.93	K	Joback Calculated Property
Tc	986.25	K	Joback Calculated Property
Tfus	495.09	K	Joback Calculated Property
Vc	1.107	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[855.21; 917.90]	J/mol×K	[801.93; 986.25]
Cp,gas	855.21	J/mol×K	801.93	Joback Calculated Property
Cp,gas	867.84	J/mol×K	832.65	Joback Calculated Property
Cp,gas	879.53	J/mol×K	863.37	Joback Calculated Property
Cp,gas	890.33	J/mol×K	894.09	Joback Calculated Property
Cp,gas	900.30	J/mol×K	924.81	Joback Calculated Property
Cp,gas	909.47	J/mol×K	955.53	Joback Calculated Property
Cp,gas	917.90	J/mol×K	986.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-methoxybenzyl ester.

Sources

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

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