Chemical Properties of Benzene, 1,5-dibromo-2-methoxy-4-methyl- (CAS 5456-94-0)

InChI

InChI=1S/C8H8Br2O/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,1-2H3

InChI Key

CDLNHQVKSMDSAI-UHFFFAOYSA-N

Formula

C8H8Br2O

SMILES

COc1cc(C)c(Br)cc1Br

Molecular Weight¹

279.96

CAS

5456-94-0

Other Names

• 2,4-Dibromo-5-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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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	[168.97; 341.05]	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			4.64900e+01
Coefficient B			5.19640e-01
Coefficient C			-2.73280e-04
Coefficient D			4.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.97	J/mol×K	273.00	Calculated Property
Cp,gas	198.26	J/mol×K	353.78	Calculated Property
Cp,gas	224.65	J/mol×K	434.56	Calculated Property
Cp,gas	248.30	J/mol×K	515.33	Calculated Property
Cp,gas	269.35	J/mol×K	596.11	Calculated Property
Cp,gas	287.97	J/mol×K	676.89	Calculated Property
Cp,gas	304.29	J/mol×K	757.67	Calculated Property
Cp,gas	318.48	J/mol×K	838.44	Calculated Property
Cp,gas	330.68	J/mol×K	919.22	Calculated Property
Cp,gas	341.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009260; 0.0002277]	Pa×s	[385.73; 576.50]	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			-1.12234e+01
Coefficient B			1.63501e+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.			385.73
Temperature range, max.			576.50
η	0.0009260	Pa×s	385.73	Calculated Property
η	0.0007426	Pa×s	406.93	Calculated Property
η	0.0006086	Pa×s	428.12	Calculated Property
η	0.0005083	Pa×s	449.32	Calculated Property
η	0.0004314	Pa×s	470.52	Calculated Property
η	0.0003714	Pa×s	491.71	Calculated Property
η	0.0003237	Pa×s	512.91	Calculated Property
η	0.0002852	Pa×s	534.11	Calculated Property
η	0.0002538	Pa×s	555.30	Calculated Property
η	0.0002277	Pa×s	576.50	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,5-dibromo-2-methoxy-4-methyl-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.