Chemical Properties of Glutaric acid, 2-ethylhexyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C20H26F4O4/c1-3-5-8-14(4-2)13-27-17(25)11-7-12-18(26)28-16-10-6-9-15(19(16)21)20(22,23)24/h6,9-10,14H,3-5,7-8,11-13H2,1-2H3

InChI Key

QLAKVOVQAZRGPI-UHFFFAOYSA-N

Formula

C20H26F4O4

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

406.41

• 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°	-1036.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1530.61	kJ/mol	Joback Calculated Property
ΔfusH°	47.78	kJ/mol	Joback Calculated Property
ΔvapH°	77.07	kJ/mol	Joback Calculated Property
log10WS	-6.45		Crippen Calculated Property
logPoct/wat	5.680		Crippen Calculated Property
McVol	290.860	ml/mol	McGowan Calculated Property
Pc	1190.70	kPa	Joback Calculated Property
Inp	[2213.00; 2213.00]
Inp	2213.00		NIST
Inp	2213.00		NIST
Tboil	839.63	K	Joback Calculated Property
Tc	1032.27	K	Joback Calculated Property
Tfus	500.72	K	Joback Calculated Property
Vc	1.151	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.10; 981.85]	J/mol×K	[839.63; 1032.27]
Cp,gas	908.10	J/mol×K	839.63	Joback Calculated Property
Cp,gas	922.87	J/mol×K	871.74	Joback Calculated Property
Cp,gas	936.60	J/mol×K	903.84	Joback Calculated Property
Cp,gas	949.33	J/mol×K	935.95	Joback Calculated Property
Cp,gas	961.09	J/mol×K	968.06	Joback Calculated Property
Cp,gas	971.92	J/mol×K	1000.16	Joback Calculated Property
Cp,gas	981.85	J/mol×K	1032.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

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