Chemical Properties of 3,5-Dibromosalicylaldehyde (CAS 90-59-5)

InChI

InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H

InChI Key

JHZOXYGFQMROFJ-UHFFFAOYSA-N

Formula

C7H4Br2O2

SMILES

O=Cc1cc(Br)cc(Br)c1O

Molecular Weight¹

279.91

CAS

90-59-5

Other Names

• 3,5-Dibromo-2-hydroxybenzaldehyde
• Benzaldehyde, 3,5-dibromo-2-hydroxy-
• Dalyde
• Salicylaldehyde, 3,5-dibromo-
• 2-Hydroxy-3,5-dibromobenzaldehyde
• 3,5-Dibromosalicylaldeyde

• 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).
• 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, Log10 of Water solubility in mol/l 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	[151.60; 287.20]	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			1.00800e+01
Coefficient B			6.76400e-01
Coefficient C			-6.46280e-04
Coefficient D			2.47000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.60	J/mol×K	273.00	Calculated Property
Cp,gas	179.42	J/mol×K	353.78	Calculated Property
Cp,gas	202.24	J/mol×K	434.56	Calculated Property
Cp,gas	220.82	J/mol×K	515.33	Calculated Property
Cp,gas	235.96	J/mol×K	596.11	Calculated Property
Cp,gas	248.42	J/mol×K	676.89	Calculated Property
Cp,gas	258.99	J/mol×K	757.67	Calculated Property
Cp,gas	268.46	J/mol×K	838.44	Calculated Property
Cp,gas	277.60	J/mol×K	919.22	Calculated Property
Cp,gas	287.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003476; 0.0000476]	Pa×s	[493.43; 644.96]	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			-1.64265e+01
Coefficient B			4.17543e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			493.43
Temperature range, max.			644.96
η	0.0003476	Pa×s	493.43	Calculated Property
η	0.0002629	Pa×s	510.27	Calculated Property
η	0.0002024	Pa×s	527.10	Calculated Property
η	0.0001584	Pa×s	543.94	Calculated Property
η	0.0001258	Pa×s	560.78	Calculated Property
η	0.0001013	Pa×s	577.61	Calculated Property
η	0.0000825	Pa×s	594.45	Calculated Property
η	0.0000680	Pa×s	611.29	Calculated Property
η	0.0000566	Pa×s	628.13	Calculated Property
η	0.0000476	Pa×s	644.96	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dibromosalicylaldehyde.

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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