Chemical Properties of Glutaric acid, butyl 2,2,2-triluoroethyl ester

InChI

InChI=1S/C11H17F3O4/c1-2-3-7-17-9(15)5-4-6-10(16)18-8-11(12,13)14/h2-8H2,1H3

InChI Key

WFSRCSGNUTUBLG-UHFFFAOYSA-N

Formula

C11H17F3O4

SMILES

CCCCOC(=O)CCCC(=O)OCC(F)(F)F

Molecular Weight¹

270.25

• 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°	-1007.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1357.05	kJ/mol	Joback Calculated Property
ΔfusH°	31.65	kJ/mol	Joback Calculated Property
ΔvapH°	54.65	kJ/mol	Joback Calculated Property
log10WS	-2.81		Crippen Calculated Property
logPoct/wat	2.606		Crippen Calculated Property
McVol	186.040	ml/mol	McGowan Calculated Property
Pc	1893.65	kPa	Joback Calculated Property
Inp	[1311.00; 1311.00]
Inp	1311.00		NIST
Inp	1311.00		NIST
Tboil	598.24	K	Joback Calculated Property
Tc	764.99	K	Joback Calculated Property
Tfus	362.24	K	Joback Calculated Property
Vc	0.743	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[492.55; 560.87]	J/mol×K	[598.24; 764.99]
Cp,gas	492.55	J/mol×K	598.24	Joback Calculated Property
Cp,gas	505.39	J/mol×K	626.03	Joback Calculated Property
Cp,gas	517.63	J/mol×K	653.82	Joback Calculated Property
Cp,gas	529.29	J/mol×K	681.61	Joback Calculated Property
Cp,gas	540.38	J/mol×K	709.41	Joback Calculated Property
Cp,gas	550.90	J/mol×K	737.20	Joback Calculated Property
Cp,gas	560.87	J/mol×K	764.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 2,2,2-triluoroethyl ester.

Sources

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

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