Chemical Properties of 2-Bromo-5-chlorobenzoic acid (CAS 21739-93-5)

InChI

InChI=1S/C7H4BrClO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)

InChI Key

RBCPJQQJBAQSOU-UHFFFAOYSA-N

Formula

C7H4BrClO2

SMILES

O=C(O)c1cc(Cl)ccc1Br

Molecular Weight¹

235.46

CAS

21739-93-5

Other Names

• 6-Bromo-3-chlorobenzoic acid
• Benzoic acid, 2-bromo-5-chloro-

• 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).
• 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[142.84; 283.98]	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			1.69000e+01
Coefficient B			5.66700e-01
Coefficient C			-4.18520e-04
Coefficient D			1.18900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.84	J/mol×K	273.00	Calculated Property
Cp,gas	170.27	J/mol×K	353.78	Calculated Property
Cp,gas	193.89	J/mol×K	434.56	Calculated Property
Cp,gas	214.07	J/mol×K	515.33	Calculated Property
Cp,gas	231.18	J/mol×K	596.11	Calculated Property
Cp,gas	245.61	J/mol×K	676.89	Calculated Property
Cp,gas	257.73	J/mol×K	757.67	Calculated Property
Cp,gas	267.91	J/mol×K	838.44	Calculated Property
Cp,gas	276.54	J/mol×K	919.22	Calculated Property
Cp,gas	283.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008918; 0.0002869]	Pa×s	[470.43; 628.09]	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			-1.15404e+01
Coefficient B			2.12550e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			470.43
Temperature range, max.			628.09
η	0.0008918	Pa×s	470.43	Calculated Property
η	0.0007583	Pa×s	487.95	Calculated Property
η	0.0006520	Pa×s	505.47	Calculated Property
η	0.0005664	Pa×s	522.98	Calculated Property
η	0.0004965	Pa×s	540.50	Calculated Property
η	0.0004388	Pa×s	558.02	Calculated Property
η	0.0003908	Pa×s	575.54	Calculated Property
η	0.0003504	Pa×s	593.06	Calculated Property
η	0.0003161	Pa×s	610.57	Calculated Property
η	0.0002869	Pa×s	628.09	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-5-chlorobenzoic acid.

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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