Chemical Properties of 3,5-Dibromo-4-methylphenol (CAS 13979-81-2)

InChI

InChI=1S/C7H6Br2O/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,1H3

InChI Key

AXCQKKVGMZCWPC-UHFFFAOYSA-N

Formula

C7H6Br2O

SMILES

Cc1c(Br)cc(O)cc1Br

Molecular Weight¹

265.93

CAS

13979-81-2

Other Names

• Phenol, 3,5-dibromo-4-methyl-
• 3,5-dibromo-p-cresol

• 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).
• 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_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 Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[146.68; 296.42]	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			-1.32000e+00
Coefficient B			7.01920e-01
Coefficient C			-6.53280e-04
Coefficient D			2.49100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.68	J/mol×K	273.00	Calculated Property
Cp,gas	176.27	J/mol×K	353.78	Calculated Property
Cp,gas	200.78	J/mol×K	434.56	Calculated Property
Cp,gas	221.00	J/mol×K	515.33	Calculated Property
Cp,gas	237.73	J/mol×K	596.11	Calculated Property
Cp,gas	251.74	J/mol×K	676.89	Calculated Property
Cp,gas	263.83	J/mol×K	757.67	Calculated Property
Cp,gas	274.78	J/mol×K	838.44	Calculated Property
Cp,gas	285.38	J/mol×K	919.22	Calculated Property
Cp,gas	296.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004708; 0.0000471]	Pa×s	[451.43; 610.79]	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			-1.64838e+01
Coefficient B			3.98280e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			451.43
Temperature range, max.			610.79
η	0.0004708	Pa×s	451.43	Calculated Property
η	0.0003374	Pa×s	469.14	Calculated Property
η	0.0002478	Pa×s	486.84	Calculated Property
η	0.0001860	Pa×s	504.55	Calculated Property
η	0.0001423	Pa×s	522.26	Calculated Property
η	0.0001108	Pa×s	539.97	Calculated Property
η	0.0000877	Pa×s	557.67	Calculated Property
η	0.0000704	Pa×s	575.38	Calculated Property
η	0.0000572	Pa×s	593.09	Calculated Property
η	0.0000471	Pa×s	610.79	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dibromo-4-methylphenol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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