Chemical Properties of «alpha»-Hydroxyisobutyric acid, trifluoroacetate

InChI

InChI=1S/C6H7F3O4/c1-5(2,3(10)11)13-4(12)6(7,8)9/h1-2H3,(H,10,11)

InChI Key

KKKNBLWCXHRHFB-UHFFFAOYSA-N

Formula

C6H7F3O4

SMILES

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

Molecular Weight¹

200.11

• 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°	-1078.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1282.61	kJ/mol	Joback Calculated Property
ΔfusH°	14.18	kJ/mol	Joback Calculated Property
ΔvapH°	56.49	kJ/mol	Joback Calculated Property
log10WS	-1.07		Crippen Calculated Property
logPoct/wat	0.955		Crippen Calculated Property
McVol	115.590	ml/mol	McGowan Calculated Property
Pc	3501.28	kPa	Joback Calculated Property
Inp	[981.00; 981.00]
Inp	981.00		NIST
Inp	981.00		NIST
Tboil	550.37	K	Joback Calculated Property
Tc	725.25	K	Joback Calculated Property
Tfus	346.90	K	Joback Calculated Property
Vc	0.453	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.55; 331.26]	J/mol×K	[550.37; 725.25]
Cp,gas	290.55	J/mol×K	550.37	Joback Calculated Property
Cp,gas	298.55	J/mol×K	579.52	Joback Calculated Property
Cp,gas	306.03	J/mol×K	608.66	Joback Calculated Property
Cp,gas	313.02	J/mol×K	637.81	Joback Calculated Property
Cp,gas	319.54	J/mol×K	666.96	Joback Calculated Property
Cp,gas	325.61	J/mol×K	696.10	Joback Calculated Property
Cp,gas	331.26	J/mol×K	725.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Hydroxyisobutyric acid, trifluoroacetate.

Sources

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

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