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

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

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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.50; 255.61]	J/mol×K	[499.67; 661.64]
Cp,gas	222.50	J/mol×K	499.67	Joback Calculated Property
Cp,gas	228.55	J/mol×K	526.66	Joback Calculated Property
Cp,gas	234.39	J/mol×K	553.66	Joback Calculated Property
Cp,gas	240.01	J/mol×K	580.65	Joback Calculated Property
Cp,gas	245.42	J/mol×K	607.65	Joback Calculated Property
Cp,gas	250.62	J/mol×K	634.64	Joback Calculated Property
Cp,gas	255.61	J/mol×K	661.64	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

• 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.