Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl isobutyl ester

InChI

InChI=1S/C12H19F3O4/c1-8(2)7-18-10(16)5-4-6-11(17)19-9(3)12(13,14)15/h8-9H,4-7H2,1-3H3

InChI Key

BJCYAUSWUQJPTF-UHFFFAOYSA-N

Formula

C12H19F3O4

SMILES

CC(C)COC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

284.27

• 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°	-1004.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-1388.25	kJ/mol	Joback Calculated Property
ΔfusH°	27.19	kJ/mol	Joback Calculated Property
ΔvapH°	56.09	kJ/mol	Joback Calculated Property
log10WS	-3.10		Crippen Calculated Property
logPoct/wat	2.850		Crippen Calculated Property
McVol	200.130	ml/mol	McGowan Calculated Property
Pc	1768.38	kPa	Joback Calculated Property
Inp	[1343.00; 1343.00]
Inp	1343.00		NIST
Inp	1343.00		NIST
Tboil	620.24	K	Joback Calculated Property
Tc	791.52	K	Joback Calculated Property
Tfus	343.51	K	Joback Calculated Property
Vc	0.786	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.97; 617.49]	J/mol×K	[620.24; 791.52]
Cp,gas	543.97	J/mol×K	620.24	Joback Calculated Property
Cp,gas	557.89	J/mol×K	648.79	Joback Calculated Property
Cp,gas	571.12	J/mol×K	677.33	Joback Calculated Property
Cp,gas	583.69	J/mol×K	705.88	Joback Calculated Property
Cp,gas	595.59	J/mol×K	734.42	Joback Calculated Property
Cp,gas	606.86	J/mol×K	762.97	Joback Calculated Property
Cp,gas	617.49	J/mol×K	791.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl isobutyl ester.

Sources

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

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