Chemical Properties of 4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acid

InChI

InChI=1S/C5H7F3O3/c1-4(11,2-3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)

InChI Key

JCJGOWYCFRASTM-UHFFFAOYSA-N

Formula

C5H7F3O3

SMILES

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

Molecular Weight¹

172.10

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.59; 296.35]	J/mol×K	[543.04; 719.73]
Cp,gas	259.59	J/mol×K	543.04	Joback Calculated Property
Cp,gas	266.98	J/mol×K	572.49	Joback Calculated Property
Cp,gas	273.81	J/mol×K	601.94	Joback Calculated Property
Cp,gas	280.13	J/mol×K	631.38	Joback Calculated Property
Cp,gas	285.97	J/mol×K	660.83	Joback Calculated Property
Cp,gas	291.36	J/mol×K	690.28	Joback Calculated Property
Cp,gas	296.35	J/mol×K	719.73	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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