Chemical Properties of m-Trifluoromethoxybenzyl alcohol (CAS 50823-90-0)

InChI

InChI=1S/C8H7F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4,12H,5H2

InChI Key

XRGSSROOYSFMMS-UHFFFAOYSA-N

Formula

C8H7F3O2

SMILES

OCc1cccc(OC(F)(F)F)c1

Molecular Weight¹

192.14

CAS

50823-90-0

Other Names

• 3-(Trifluoromethoxy) benzyl alcohol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[171.53; 370.34]	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			6.01000e-01
Coefficient B			7.57400e-01
Coefficient C			-5.15960e-04
Coefficient D			1.28300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.53	J/mol×K	273.00	Calculated Property
Cp,gas	209.66	J/mol×K	353.78	Calculated Property
Cp,gas	242.83	J/mol×K	434.56	Calculated Property
Cp,gas	271.45	J/mol×K	515.33	Calculated Property
Cp,gas	295.93	J/mol×K	596.11	Calculated Property
Cp,gas	316.67	J/mol×K	676.89	Calculated Property
Cp,gas	334.07	J/mol×K	757.67	Calculated Property
Cp,gas	348.55	J/mol×K	838.44	Calculated Property
Cp,gas	360.50	J/mol×K	919.22	Calculated Property
Cp,gas	370.34	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to m-Trifluoromethoxybenzyl 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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