Chemical Properties of 2,6-Difluoro-«alpha»-methylbenzyl alcohol (CAS 87327-65-9)

InChI

InChI=1S/C8H8F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3

InChI Key

SIYWDKQSSDBLOA-UHFFFAOYSA-N

Formula

C8H8F2O

SMILES

CC(O)c1c(F)cccc1F

Molecular Weight¹

158.15

CAS

87327-65-9

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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°	-419.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-544.59	kJ/mol	Joback Calculated Property
ΔfusH°	16.46	kJ/mol	Joback Calculated Property
ΔvapH°	51.66	kJ/mol	Joback Calculated Property
log10WS	-2.66		Crippen Calculated Property
logPoct/wat	2.018		Crippen Calculated Property
McVol	109.230	ml/mol	McGowan Calculated Property
Pc	3564.27	kPa	Joback Calculated Property
Inp	[1054.00; 1054.00]
Inp	1054.00		NIST
Inp	1054.00		NIST
Tboil	509.36	K	Joback Calculated Property
Tc	694.19	K	Joback Calculated Property
Tfus	278.38	K	Joback Calculated Property
Vc	0.424	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.03; 289.19]	J/mol×K	[509.36; 694.19]
Cp,gas	240.03	J/mol×K	509.36	Joback Calculated Property
Cp,gas	249.34	J/mol×K	540.17	Joback Calculated Property
Cp,gas	258.18	J/mol×K	570.97	Joback Calculated Property
Cp,gas	266.58	J/mol×K	601.78	Joback Calculated Property
Cp,gas	274.53	J/mol×K	632.58	Joback Calculated Property
Cp,gas	282.07	J/mol×K	663.39	Joback Calculated Property
Cp,gas	289.19	J/mol×K	694.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-«alpha»-methylbenzyl alcohol.

Sources

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

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