Chemical Properties of 2-Bromo-5-methoxytoluene (CAS 27060-75-9)

InChI

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

InChI Key

BLZNSXFQRKVFRP-UHFFFAOYSA-N

Formula

C8H9BrO

SMILES

COc1ccc(Br)c(C)c1

Molecular Weight¹

201.06

CAS

27060-75-9

Other Names

• 4-Bromo-3-methylanisole

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[152.43; 335.02]	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			2.40000e+01
Coefficient B			5.40940e-01
Coefficient C			-2.68920e-04
Coefficient D			3.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.43	J/mol×K	273.00	Calculated Property
Cp,gas	183.44	J/mol×K	353.78	Calculated Property
Cp,gas	211.49	J/mol×K	434.56	Calculated Property
Cp,gas	236.69	J/mol×K	515.33	Calculated Property
Cp,gas	259.16	J/mol×K	596.11	Calculated Property
Cp,gas	279.04	J/mol×K	676.89	Calculated Property
Cp,gas	296.44	J/mol×K	757.67	Calculated Property
Cp,gas	311.49	J/mol×K	838.44	Calculated Property
Cp,gas	324.31	J/mol×K	919.22	Calculated Property
Cp,gas	335.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012829; 0.0002222]	Pa×s	[313.41; 515.54]	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			-1.11304e+01
Coefficient B			1.40149e+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.			313.41
Temperature range, max.			515.54
η	0.0012829	Pa×s	313.41	Calculated Property
η	0.0009513	Pa×s	335.87	Calculated Property
η	0.0007324	Pa×s	358.33	Calculated Property
η	0.0005815	Pa×s	380.79	Calculated Property
η	0.0004737	Pa×s	403.25	Calculated Property
η	0.0003944	Pa×s	425.70	Calculated Property
η	0.0003344	Pa×s	448.16	Calculated Property
η	0.0002880	Pa×s	470.62	Calculated Property
η	0.0002515	Pa×s	493.08	Calculated Property
η	0.0002222	Pa×s	515.54	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-5-methoxytoluene.

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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