Chemical Properties of Phenol, 4-bromo-2,6-dimethyl- (CAS 2374-05-2)

InChI

InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3

InChI Key

ZLVFYUORUHNMBO-UHFFFAOYSA-N

Formula

C8H9BrO

SMILES

Cc1cc(Br)cc(C)c1O

Molecular Weight¹

201.06

CAS

2374-05-2

Other Names

• 4-Bromo-2,6-dimethylphenol
• 2,6-Xylenol, 4-bromo-
• 4-Bromo-2,6-xylenol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, 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	[153.91; 338.94]	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			-1.04200e+01
Coefficient B			7.58740e-01
Coefficient C			-6.36280e-04
Coefficient D			2.26900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.91	J/mol×K	273.00	Calculated Property
Cp,gas	188.42	J/mol×K	353.78	Calculated Property
Cp,gas	217.76	J/mol×K	434.56	Calculated Property
Cp,gas	242.66	J/mol×K	515.33	Calculated Property
Cp,gas	263.84	J/mol×K	596.11	Calculated Property
Cp,gas	282.00	J/mol×K	676.89	Calculated Property
Cp,gas	297.88	J/mol×K	757.67	Calculated Property
Cp,gas	312.18	J/mol×K	838.44	Calculated Property
Cp,gas	325.63	J/mol×K	919.22	Calculated Property
Cp,gas	338.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008830; 0.0000580]	Pa×s	[402.90; 566.96]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.64444e+01
Coefficient B			3.79218e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			402.90
Temperature range, max.			566.96
η	0.0008830	Pa×s	402.90	Calculated Property
η	0.0005875	Pa×s	421.13	Calculated Property
η	0.0004044	Pa×s	439.36	Calculated Property
η	0.0002867	Pa×s	457.59	Calculated Property
η	0.0002087	Pa×s	475.82	Calculated Property
η	0.0001555	Pa×s	494.05	Calculated Property
η	0.0001184	Pa×s	512.28	Calculated Property
η	0.0000918	Pa×s	530.51	Calculated Property
η	0.0000724	Pa×s	548.74	Calculated Property
η	0.0000580	Pa×s	566.96	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-bromo-2,6-dimethyl-.

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

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