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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.46	kJ/mol	Joback Calculated Property
ΔvapH°	70.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-1.20		Relay (1.0) Calculated Property
logPoct/wat	2.018		Crippen Calculated Property
McVol	109.230	ml/mol	McGowan Calculated Property
Inp	[1054.00; 1054.00]
Inp	1054.00		NIST
Inp	1054.00		NIST
Tboil	463.72	K	Relay (1.0) Calculated Property
Tfus	320.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[151.62; 340.80]	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			6.10000e+00
Coefficient B			6.29420e-01
Coefficient C			-3.74920e-04
Coefficient D			8.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.62	J/mol×K	273.00	Calculated Property
Cp,gas	185.40	J/mol×K	353.78	Calculated Property
Cp,gas	215.40	J/mol×K	434.56	Calculated Property
Cp,gas	241.87	J/mol×K	515.33	Calculated Property
Cp,gas	265.07	J/mol×K	596.11	Calculated Property
Cp,gas	285.24	J/mol×K	676.89	Calculated Property
Cp,gas	302.65	J/mol×K	757.67	Calculated Property
Cp,gas	317.54	J/mol×K	838.44	Calculated Property
Cp,gas	330.17	J/mol×K	919.22	Calculated Property
Cp,gas	340.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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