Chemical Properties of 2-Fluoro-6-(trifluoromethyl)benzyl alcohol

InChI

InChI=1S/C8H6F4O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3,13H,4H2

InChI Key

TZUCYZIRXZYZOP-UHFFFAOYSA-N

Formula

C8H6F4O

SMILES

OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

194.13

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.87; 355.87]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.50900e+00
Coefficient B			7.72900e-01
Coefficient C			-5.76320e-04
Coefficient D			1.63800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.87	J/mol×K	273.00	Calculated Property
Cp,gas	204.05	J/mol×K	353.78	Calculated Property
Cp,gas	235.97	J/mol×K	434.56	Calculated Property
Cp,gas	263.16	J/mol×K	515.33	Calculated Property
Cp,gas	286.13	J/mol×K	596.11	Calculated Property
Cp,gas	305.40	J/mol×K	676.89	Calculated Property
Cp,gas	321.49	J/mol×K	757.67	Calculated Property
Cp,gas	334.92	J/mol×K	838.44	Calculated Property
Cp,gas	346.21	J/mol×K	919.22	Calculated Property
Cp,gas	355.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Fluoro-6-(trifluoromethyl)benzyl alcohol.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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