Chemical Properties of 1-Bromo-2,3-dichlorobenzene (CAS 56961-77-4)

InChI

InChI=1S/C6H3BrCl2/c7-4-2-1-3-5(8)6(4)9/h1-3H

InChI Key

HVKCZUVMQPUWSX-UHFFFAOYSA-N

Formula

C6H3BrCl2

SMILES

Clc1cccc(Br)c1Cl

Molecular Weight¹

225.90

CAS

56961-77-4

Other Names

• Benzene, 1-bromo-2,3-dichloro-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[121.41; 229.88]	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			2.61000e+01
Coefficient B			4.27700e-01
Coefficient C			-3.11920e-04
Coefficient D			8.80000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	121.41	J/mol×K	273.00	Calculated Property
Cp,gas	142.27	J/mol×K	353.78	Calculated Property
Cp,gas	160.28	J/mol×K	434.56	Calculated Property
Cp,gas	175.72	J/mol×K	515.33	Calculated Property
Cp,gas	188.86	J/mol×K	596.11	Calculated Property
Cp,gas	199.98	J/mol×K	676.89	Calculated Property
Cp,gas	209.37	J/mol×K	757.67	Calculated Property
Cp,gas	217.30	J/mol×K	838.44	Calculated Property
Cp,gas	224.04	J/mol×K	919.22	Calculated Property
Cp,gas	229.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014848; 0.0002906]	Pa×s	[333.00; 536.08]	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			-1.08179e+01
Coefficient B			1.43372e+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.			333.00
Temperature range, max.			536.08
η	0.0014848	Pa×s	333.00	Calculated Property
η	0.0011298	Pa×s	355.56	Calculated Property
η	0.0008882	Pa×s	378.13	Calculated Property
η	0.0007174	Pa×s	400.69	Calculated Property
η	0.0005929	Pa×s	423.26	Calculated Property
η	0.0004994	Pa×s	445.82	Calculated Property
η	0.0004278	Pa×s	468.39	Calculated Property
η	0.0003716	Pa×s	490.95	Calculated Property
η	0.0003269	Pa×s	513.52	Calculated Property
η	0.0002906	Pa×s	536.08	Calculated Property

Similar Compounds

Find more compounds similar to 1-Bromo-2,3-dichlorobenzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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