Chemical Properties of Tetrabromo-o-xylene (CAS 36059-21-9)

InChI

InChI=1S/C8H6Br4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h1-2H3

InChI Key

WVJRAJZMOVQFEC-UHFFFAOYSA-N

Formula

C8H6Br4

SMILES

Cc1c(C)c(Br)c(Br)c(Br)c1Br

Molecular Weight¹

421.75

CAS

36059-21-9

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[186.64; 334.61]	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			6.59700e+01
Coefficient B			5.40240e-01
Coefficient C			-3.93000e-04
Coefficient D			1.21400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.64	J/mol×K	273.00	Calculated Property
Cp,gas	213.28	J/mol×K	353.78	Calculated Property
Cp,gas	236.48	J/mol×K	434.56	Calculated Property
Cp,gas	256.62	J/mol×K	515.33	Calculated Property
Cp,gas	274.08	J/mol×K	596.11	Calculated Property
Cp,gas	289.24	J/mol×K	676.89	Calculated Property
Cp,gas	302.49	J/mol×K	757.67	Calculated Property
Cp,gas	314.21	J/mol×K	838.44	Calculated Property
Cp,gas	324.79	J/mol×K	919.22	Calculated Property
Cp,gas	334.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005127; 0.0002312]	Pa×s	[535.15; 681.92]	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			-1.12756e+01
Coefficient B			1.97996e+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.			535.15
Temperature range, max.			681.92
η	0.0005127	Pa×s	535.15	Calculated Property
η	0.0004596	Pa×s	551.46	Calculated Property
η	0.0004146	Pa×s	567.76	Calculated Property
η	0.0003761	Pa×s	584.07	Calculated Property
η	0.0003430	Pa×s	600.38	Calculated Property
η	0.0003144	Pa×s	616.69	Calculated Property
η	0.0002894	Pa×s	632.99	Calculated Property
η	0.0002675	Pa×s	649.30	Calculated Property
η	0.0002483	Pa×s	665.61	Calculated Property
η	0.0002312	Pa×s	681.92	Calculated Property

Similar Compounds

Find more compounds similar to Tetrabromo-o-xylene.

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)
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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