Chemical Properties of 3-Bromobenzoyl chloride (CAS 1711-09-7)

InChI

InChI=1S/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H

InChI Key

PBOOZQFGWNZNQE-UHFFFAOYSA-N

Formula

C7H4BrClO

SMILES

O=C(Cl)c1cccc(Br)c1

Molecular Weight¹

219.46

CAS

1711-09-7

Other Names

• m-Bromobenzoyl chloride
• Benzoyl chloride, 3-bromo-
• Benzoyl chloride, m-bromo-

• 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	[127.59; 265.26]	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			5.36000e+00
Coefficient B			5.47400e-01
Coefficient C			-3.94260e-04
Coefficient D			1.06760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.59	J/mol×K	273.00	Calculated Property
Cp,gas	154.40	J/mol×K	353.78	Calculated Property
Cp,gas	177.55	J/mol×K	434.56	Calculated Property
Cp,gas	197.36	J/mol×K	515.33	Calculated Property
Cp,gas	214.19	J/mol×K	596.11	Calculated Property
Cp,gas	228.36	J/mol×K	676.89	Calculated Property
Cp,gas	240.21	J/mol×K	757.67	Calculated Property
Cp,gas	250.09	J/mol×K	838.44	Calculated Property
Cp,gas	258.33	J/mol×K	919.22	Calculated Property
Cp,gas	265.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019626; 0.0003235]	Pa×s	[347.24; 558.69]	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			-1.09968e+01
Coefficient B			1.65401e+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.			347.24
Temperature range, max.			558.69
η	0.0019626	Pa×s	347.24	Calculated Property
η	0.0014512	Pa×s	370.73	Calculated Property
η	0.0011124	Pa×s	394.23	Calculated Property
η	0.0008786	Pa×s	417.72	Calculated Property
η	0.0007115	Pa×s	441.22	Calculated Property
η	0.0005887	Pa×s	464.71	Calculated Property
η	0.0004960	Pa×s	488.21	Calculated Property
η	0.0004246	Pa×s	511.70	Calculated Property
η	0.0003684	Pa×s	535.19	Calculated Property
η	0.0003235	Pa×s	558.69	Calculated Property

Similar Compounds

Find more compounds similar to 3-Bromobenzoyl chloride.

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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