Chemical Properties of 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL

InChI

InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2

InChI Key

PGJYYCIOYBZTPU-UHFFFAOYSA-N

Formula

C7H3F5O

SMILES

OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

198.09

Other Names

• (Hydroxymethyl)pentafluorobenzene
• (Pentafluorophenyl)methanol
• 2,3,4,5,6-pentafluorobenzylic alcohol
• Benzenemethanol, 2,3,4,5,6-pentafluoro-
• Benzyl alcohol, 2,3,4,5,6-pentafluoro-
• Pentafluorobenzyl alcohol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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

Property	Value	Unit	Source
ΔfusH°	25.47	kJ/mol	Joback Calculated Property
logPoct/wat	1.874		Crippen Calculated Property
McVol	100.450	ml/mol	McGowan Calculated Property
Tboil	[454.00; 454.20]	K
Tboil	454.00 ± 1.00	K	NIST
Tboil	454.20	K	NIST
Tfus	310.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate 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, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[162.97; 300.76]	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			6.98610e+01
Coefficient B			3.85400e-01
Coefficient C			-1.65400e-04
Coefficient D			1.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.97	J/mol×K	273.00	Calculated Property
Cp,gas	185.99	J/mol×K	353.78	Calculated Property
Cp,gas	207.00	J/mol×K	434.56	Calculated Property
Cp,gas	226.04	J/mol×K	515.33	Calculated Property
Cp,gas	243.14	J/mol×K	596.11	Calculated Property
Cp,gas	258.33	J/mol×K	676.89	Calculated Property
Cp,gas	271.66	J/mol×K	757.67	Calculated Property
Cp,gas	283.15	J/mol×K	838.44	Calculated Property
Cp,gas	292.84	J/mol×K	919.22	Calculated Property
Cp,gas	300.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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