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

InChI

InChI=1S/C18H18F8O4/c19-15(20)17(23,24)18(25,26)16(21,22)11-30-14(28)8-4-7-13(27)29-10-9-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2

InChI Key

NLGSXFHCDYCTEH-UHFFFAOYSA-N

Formula

C18H18F8O4

SMILES

O=C(CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCCc1ccccc1

Molecular Weight¹

450.32

• 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°	-1807.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-2268.33	kJ/mol	Joback Calculated Property
ΔfusH°	40.87	kJ/mol	Joback Calculated Property
ΔvapH°	65.44	kJ/mol	Joback Calculated Property
log10WS	-5.44		Crippen Calculated Property
logPoct/wat	4.657		Crippen Calculated Property
McVol	269.760	ml/mol	McGowan Calculated Property
Pc	1259.27	kPa	Joback Calculated Property
Inp	[1992.00; 1992.00]
Inp	1992.00		NIST
Inp	1992.00		NIST
Tboil	774.53	K	Joback Calculated Property
Tc	955.52	K	Joback Calculated Property
Tfus	460.34	K	Joback Calculated Property
Vc	1.089	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[828.56; 893.87]	J/mol×K	[774.53; 955.52]
Cp,gas	828.56	J/mol×K	774.53	Joback Calculated Property
Cp,gas	841.55	J/mol×K	804.70	Joback Calculated Property
Cp,gas	853.61	J/mol×K	834.86	Joback Calculated Property
Cp,gas	864.82	J/mol×K	865.03	Joback Calculated Property
Cp,gas	875.23	J/mol×K	895.19	Joback Calculated Property
Cp,gas	884.89	J/mol×K	925.36	Joback Calculated Property
Cp,gas	893.87	J/mol×K	955.52	Joback Calculated Property

Similar Compounds

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

Sources

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

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