Chemical Properties of 1-Bromo-2,4,6-trichlorobenzene

InChI

InChI=1S/C6H2BrCl3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H

InChI Key

BAPPAFMEUDJAQI-UHFFFAOYSA-N

Formula

C6H2BrCl3

SMILES

Clc1cc(Cl)c(Br)c(Cl)c1

Molecular Weight¹

260.34

• 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).
• 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, 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	[137.36; 235.11]	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			5.32900e+01
Coefficient B			3.75000e-01
Coefficient C			-2.65280e-04
Coefficient D			7.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.36	J/mol×K	273.00	Calculated Property
Cp,gas	155.95	J/mol×K	353.78	Calculated Property
Cp,gas	172.07	J/mol×K	434.56	Calculated Property
Cp,gas	185.96	J/mol×K	515.33	Calculated Property
Cp,gas	197.84	J/mol×K	596.11	Calculated Property
Cp,gas	207.94	J/mol×K	676.89	Calculated Property
Cp,gas	216.49	J/mol×K	757.67	Calculated Property
Cp,gas	223.71	J/mol×K	838.44	Calculated Property
Cp,gas	229.85	J/mol×K	919.22	Calculated Property
Cp,gas	235.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012470; 0.0002890]	Pa×s	[370.92; 569.78]	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			-1.08760e+01
Coefficient B			1.55378e+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.			370.92
Temperature range, max.			569.78
η	0.0012470	Pa×s	370.92	Calculated Property
η	0.0009854	Pa×s	393.02	Calculated Property
η	0.0007984	Pa×s	415.11	Calculated Property
η	0.0006608	Pa×s	437.21	Calculated Property
η	0.0005569	Pa×s	459.30	Calculated Property
η	0.0004768	Pa×s	481.40	Calculated Property
η	0.0004139	Pa×s	503.49	Calculated Property
η	0.0003635	Pa×s	525.59	Calculated Property
η	0.0003226	Pa×s	547.68	Calculated Property
η	0.0002890	Pa×s	569.78	Calculated Property

Similar Compounds

Find more compounds similar to 1-Bromo-2,4,6-trichlorobenzene.

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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