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

InChI

InChI=1S/C23H20F8O5/c24-20(25)22(28,29)23(30,31)21(26,27)14-35-19(33)11-5-10-18(32)34-13-15-6-4-9-17(12-15)36-16-7-2-1-3-8-16/h1-4,6-9,12,20H,5,10-11,13-14H2

InChI Key

HUMXYTVTGXOEMU-UHFFFAOYSA-N

Formula

C23H20F8O5

SMILES

O=C(CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

528.39

• 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°	-1767.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-2278.69	kJ/mol	Joback Calculated Property
ΔfusH°	48.66	kJ/mol	Joback Calculated Property
ΔvapH°	81.92	kJ/mol	Joback Calculated Property
log10WS	-7.15		Crippen Calculated Property
logPoct/wat	6.407		Crippen Calculated Property
McVol	322.320	ml/mol	McGowan Calculated Property
Pc	1111.85	kPa	Joback Calculated Property
Inp	[2633.00; 2633.00]
Inp	2633.00		NIST
Inp	2633.00		NIST
Tboil	943.01	K	Joback Calculated Property
Tc	1155.05	K	Joback Calculated Property
Tfus	577.86	K	Joback Calculated Property
Vc	1.278	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1042.53; 1098.68]	J/mol×K	[943.01; 1155.05]
Cp,gas	1042.53	J/mol×K	943.01	Joback Calculated Property
Cp,gas	1054.24	J/mol×K	978.35	Joback Calculated Property
Cp,gas	1064.88	J/mol×K	1013.69	Joback Calculated Property
Cp,gas	1074.54	J/mol×K	1049.03	Joback Calculated Property
Cp,gas	1083.33	J/mol×K	1084.37	Joback Calculated Property
Cp,gas	1091.35	J/mol×K	1119.71	Joback Calculated Property
Cp,gas	1098.68	J/mol×K	1155.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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