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

InChI

InChI=1S/C11H17F3O4/c1-8(2)6-17-9(15)4-3-5-10(16)18-7-11(12,13)14/h8H,3-7H2,1-2H3

InChI Key

ZCWXOIKXEBLDII-UHFFFAOYSA-N

Formula

C11H17F3O4

SMILES

CC(C)COC(=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°	-1010.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1362.33	kJ/mol	Joback Calculated Property
ΔfusH°	28.12	kJ/mol	Joback Calculated Property
ΔvapH°	54.26	kJ/mol	Joback Calculated Property
log10WS	-2.57		Crippen Calculated Property
logPoct/wat	2.461		Crippen Calculated Property
McVol	186.040	ml/mol	McGowan Calculated Property
Pc	1906.90	kPa	Joback Calculated Property
Inp	[1267.00; 1267.00]
Inp	1267.00		NIST
Inp	1267.00		NIST
Tboil	597.80	K	Joback Calculated Property
Tc	767.15	K	Joback Calculated Property
Tfus	347.24	K	Joback Calculated Property
Vc	0.737	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[492.95; 562.38]	J/mol×K	[597.80; 767.15]
Cp,gas	492.95	J/mol×K	597.80	Joback Calculated Property
Cp,gas	506.03	J/mol×K	626.03	Joback Calculated Property
Cp,gas	518.50	J/mol×K	654.25	Joback Calculated Property
Cp,gas	530.35	J/mol×K	682.48	Joback Calculated Property
Cp,gas	541.61	J/mol×K	710.70	Joback Calculated Property
Cp,gas	552.28	J/mol×K	738.93	Joback Calculated Property
Cp,gas	562.38	J/mol×K	767.15	Joback Calculated Property

Similar Compounds

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

Sources

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

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