Chemical Properties of Benzoic acid, 3,5-dibromo-2-hydroxy- (CAS 3147-55-5)

InChI

InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)

InChI Key

BFBZHSOXKROMBG-UHFFFAOYSA-N

Formula

C7H4Br2O3

SMILES

O=C(O)c1cc(Br)cc(Br)c1O

Molecular Weight¹

295.91

CAS

3147-55-5

Other Names

• 2-Hydroxy-3,5-dibromobenzoic acid
• 3,5-Dibromo-2-hydroxybenzoic acid
• 3,5-Dibromosalicylic acid
• Salicylic acid, 3,5-dibromo-

• 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	[160.31; 307.20]	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			3.28000e+00
Coefficient B			7.52700e-01
Coefficient C			-7.25880e-04
Coefficient D			2.77100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.31	J/mol×K	273.00	Calculated Property
Cp,gas	190.99	J/mol×K	353.78	Calculated Property
Cp,gas	216.03	J/mol×K	434.56	Calculated Property
Cp,gas	236.32	J/mol×K	515.33	Calculated Property
Cp,gas	252.73	J/mol×K	596.11	Calculated Property
Cp,gas	266.13	J/mol×K	676.89	Calculated Property
Cp,gas	277.40	J/mol×K	757.67	Calculated Property
Cp,gas	287.42	J/mol×K	838.44	Calculated Property
Cp,gas	297.06	J/mol×K	919.22	Calculated Property
Cp,gas	307.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000770; 0.0000251]	Pa×s	[612.03; 715.16]	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			-1.72359e+01
Coefficient B			4.75174e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			612.03
Temperature range, max.			715.16
η	0.0000770	Pa×s	612.03	Calculated Property
η	0.0000667	Pa×s	623.49	Calculated Property
η	0.0000582	Pa×s	634.95	Calculated Property
η	0.0000509	Pa×s	646.41	Calculated Property
η	0.0000448	Pa×s	657.86	Calculated Property
η	0.0000396	Pa×s	669.32	Calculated Property
η	0.0000351	Pa×s	680.78	Calculated Property
η	0.0000313	Pa×s	692.24	Calculated Property
η	0.0000280	Pa×s	703.70	Calculated Property
η	0.0000251	Pa×s	715.16	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3,5-dibromo-2-hydroxy-.

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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