Chemical Properties of Glutaric acid, isobutyl 2-(pentafluorophenoxy)ethyl ester

InChI

InChI=1S/C17H19F5O5/c1-9(2)8-27-11(24)5-3-4-10(23)25-6-7-26-17-15(21)13(19)12(18)14(20)16(17)22/h9H,3-8H2,1-2H3

InChI Key

UEAVWPLUALMFRS-UHFFFAOYSA-N

Formula

C17H19F5O5

SMILES

CC(C)COC(=O)CCCC(=O)OCCOc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

398.32

• 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°	-1392.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1822.68	kJ/mol	Joback Calculated Property
ΔfusH°	50.52	kJ/mol	Joback Calculated Property
ΔvapH°	75.27	kJ/mol	Joback Calculated Property
log10WS	-4.92		Crippen Calculated Property
logPoct/wat	3.674		Crippen Calculated Property
McVol	256.230	ml/mol	McGowan Calculated Property
Pc	1335.88	kPa	Joback Calculated Property
Inp	[2117.00; 2117.00]
Inp	2117.00		NIST
Inp	2117.00		NIST
Tboil	810.85	K	Joback Calculated Property
Tc	996.64	K	Joback Calculated Property
Tfus	524.87	K	Joback Calculated Property
Vc	1.030	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[767.40; 831.23]	J/mol×K	[810.85; 996.64]
Cp,gas	767.40	J/mol×K	810.85	Joback Calculated Property
Cp,gas	780.34	J/mol×K	841.82	Joback Calculated Property
Cp,gas	792.37	J/mol×K	872.78	Joback Calculated Property
Cp,gas	803.48	J/mol×K	903.75	Joback Calculated Property
Cp,gas	813.67	J/mol×K	934.71	Joback Calculated Property
Cp,gas	822.93	J/mol×K	965.68	Joback Calculated Property
Cp,gas	831.23	J/mol×K	996.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl 2-(pentafluorophenoxy)ethyl ester.

Sources

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

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