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

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

• 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	[0.0023951; 0.0000471]	Pa×s	[381.15; 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.			381.15
Temperature range, max.			610.79
η	0.0023951	Pa×s	381.15	Calculated Property
η	0.0012433	Pa×s	406.67	Calculated Property
η	0.0006974	Pa×s	432.18	Calculated Property
η	0.0004172	Pa×s	457.70	Calculated Property
η	0.0002635	Pa×s	483.21	Calculated Property
η	0.0001743	Pa×s	508.73	Calculated Property
η	0.0001199	Pa×s	534.25	Calculated Property
η	0.0000854	Pa×s	559.76	Calculated Property
η	0.0000626	Pa×s	585.28	Calculated Property
η	0.0000471	Pa×s	610.79	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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