Chemical Properties of 5-Bromo-2,4-dihydroxybenzoic acid

InChI

InChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12)

InChI Key

ZRBCISXJLHZOMS-UHFFFAOYSA-N

Formula

C7H5BrO4

SMILES

O=C(O)c1cc(Br)c(O)cc1O

Molecular Weight¹

233.02

Other Names

• 2,4-Dihydroxy-5-bromobenzoic acid
• 5-Bromo-«beta»-resorcylic acid
• Benzoic acid, 5-bromo-2,4-dihydroxy-
• diphenylhydantoin
• «beta»-Resorcylic acid, 5-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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[160.66; 323.59]	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			-2.81300e+01
Coefficient B			9.28600e-01
Coefficient C			-9.77880e-04
Coefficient D			4.01000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.66	J/mol×K	273.00	Calculated Property
Cp,gas	195.75	J/mol×K	353.78	Calculated Property
Cp,gas	223.64	J/mol×K	434.56	Calculated Property
Cp,gas	245.59	J/mol×K	515.33	Calculated Property
Cp,gas	262.87	J/mol×K	596.11	Calculated Property
Cp,gas	276.75	J/mol×K	676.89	Calculated Property
Cp,gas	288.49	J/mol×K	757.67	Calculated Property
Cp,gas	299.37	J/mol×K	838.44	Calculated Property
Cp,gas	310.64	J/mol×K	919.22	Calculated Property
Cp,gas	323.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000064; 0.0000023]	Pa×s	[651.43; 718.44]	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			-2.27509e+01
Coefficient B			7.03100e+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.			651.43
Temperature range, max.			718.44
η	0.0000064	Pa×s	651.43	Calculated Property
η	0.0000057	Pa×s	658.88	Calculated Property
η	0.0000050	Pa×s	666.32	Calculated Property
η	0.0000045	Pa×s	673.77	Calculated Property
η	0.0000040	Pa×s	681.21	Calculated Property
η	0.0000036	Pa×s	688.66	Calculated Property
η	0.0000032	Pa×s	696.10	Calculated Property
η	0.0000029	Pa×s	703.55	Calculated Property
η	0.0000026	Pa×s	710.99	Calculated Property
η	0.0000023	Pa×s	718.44	Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromo-2,4-dihydroxybenzoic 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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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