Chemical Properties of 2,3,4,5,6-Pentafluorobenzyl alcohol (CAS 440-60-8)

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

CAS

440-60-8

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1038.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1141.41	kJ/mol	Joback Calculated Property
ΔfusH°	25.47	kJ/mol	Joback Calculated Property
ΔvapH°	49.36	kJ/mol	Joback Calculated Property
log10WS	-3.27		Crippen Calculated Property
logPoct/wat	1.874		Crippen Calculated Property
McVol	100.450	ml/mol	McGowan Calculated Property
Pc	3202.78	kPa	Joback Calculated Property
Tboil	[454.00; 454.20]	K
Tboil	454.00 ± 1.00	K	NIST
Tboil	454.20	K	NIST
Tc	661.64	K	Joback Calculated Property
Tfus	321.44	K	Joback Calculated Property
Vc	0.428	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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