Chemical Properties of 1,2,3,4-tetrabromobenzene (CAS 22311-25-7)

InChI

InChI=1S/C6H2Br4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H

InChI Key

QRFALSDGOMLVIR-UHFFFAOYSA-N

Formula

C6H2Br4

SMILES

Brc1ccc(Br)c(Br)c1Br

Molecular Weight¹

393.70

CAS

22311-25-7

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[139.11; 237.51]	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			3.91900e+01
Coefficient B			4.69200e-01
Coefficient C			-4.18280e-04
Coefficient D			1.47400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.11	J/mol×K	273.00	Calculated Property
Cp,gas	159.36	J/mol×K	353.78	Calculated Property
Cp,gas	176.19	J/mol×K	434.56	Calculated Property
Cp,gas	190.08	J/mol×K	515.33	Calculated Property
Cp,gas	201.47	J/mol×K	596.11	Calculated Property
Cp,gas	210.85	J/mol×K	676.89	Calculated Property
Cp,gas	218.68	J/mol×K	757.67	Calculated Property
Cp,gas	225.42	J/mol×K	838.44	Calculated Property
Cp,gas	231.54	J/mol×K	919.22	Calculated Property
Cp,gas	237.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008923; 0.0002665]	Pa×s	[460.56; 652.19]	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			-1.11344e+01
Coefficient B			1.89416e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			460.56
Temperature range, max.			652.19
η	0.0008923	Pa×s	460.56	Calculated Property
η	0.0007440	Pa×s	481.85	Calculated Property
η	0.0006300	Pa×s	503.15	Calculated Property
η	0.0005407	Pa×s	524.44	Calculated Property
η	0.0004696	Pa×s	545.73	Calculated Property
η	0.0004123	Pa×s	567.02	Calculated Property
η	0.0003653	Pa×s	588.32	Calculated Property
η	0.0003264	Pa×s	609.61	Calculated Property
η	0.0002939	Pa×s	630.90	Calculated Property
η	0.0002665	Pa×s	652.19	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,4-tetrabromobenzene.

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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