Chemical Properties of 2-Hydroxyisocaproic acid, trifluoroacetate

InChI

InChI=1S/C8H11F3O4/c1-4(2)3-5(6(12)13)15-7(14)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)

InChI Key

DZXQBBALFIMLBZ-UHFFFAOYSA-N

Formula

C8H11F3O4

SMILES

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

Molecular Weight¹

228.17

• 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°	-1069.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1325.70	kJ/mol	Joback Calculated Property
ΔfusH°	19.73	kJ/mol	Joback Calculated Property
ΔvapH°	61.46	kJ/mol	Joback Calculated Property
log10WS	-1.67		Crippen Calculated Property
logPoct/wat	1.591		Crippen Calculated Property
McVol	143.770	ml/mol	McGowan Calculated Property
Pc	2814.34	kPa	Joback Calculated Property
Inp	[1142.00; 1142.00]
Inp	1142.00		NIST
Inp	1142.00		NIST
Tboil	598.48	K	Joback Calculated Property
Tc	768.75	K	Joback Calculated Property
Tfus	337.02	K	Joback Calculated Property
Vc	0.564	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[378.00; 427.83]	J/mol×K	[598.48; 768.75]
Cp,gas	378.00	J/mol×K	598.48	Joback Calculated Property
Cp,gas	387.53	J/mol×K	626.86	Joback Calculated Property
Cp,gas	396.55	J/mol×K	655.24	Joback Calculated Property
Cp,gas	405.07	J/mol×K	683.62	Joback Calculated Property
Cp,gas	413.12	J/mol×K	712.00	Joback Calculated Property
Cp,gas	420.70	J/mol×K	740.37	Joback Calculated Property
Cp,gas	427.83	J/mol×K	768.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyisocaproic acid, trifluoroacetate.

Sources

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

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