Chemical Properties of 3-Bromo-5-chloro-2-hydroxybenzaldehyde (CAS 19652-32-5)

InChI

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

InChI Key

KNOYZLVIXXBBIB-UHFFFAOYSA-N

Formula

C7H4BrClO2

SMILES

O=Cc1cc(Cl)cc(Br)c1O

Molecular Weight¹

235.46

CAS

19652-32-5

Other Names

• Benzaldehyde, 3-bromo-5-chloro-2-hydroxy-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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 formation at standard conditions, 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	[151.01; 286.40]	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			1.47800e+01
Coefficient B			6.45000e-01
Coefficient C			-5.95280e-04
Coefficient D			2.21900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.01	J/mol×K	273.00	Calculated Property
Cp,gas	178.29	J/mol×K	353.78	Calculated Property
Cp,gas	200.87	J/mol×K	434.56	Calculated Property
Cp,gas	219.45	J/mol×K	515.33	Calculated Property
Cp,gas	234.74	J/mol×K	596.11	Calculated Property
Cp,gas	247.45	J/mol×K	676.89	Calculated Property
Cp,gas	258.26	J/mol×K	757.67	Calculated Property
Cp,gas	267.89	J/mol×K	838.44	Calculated Property
Cp,gas	277.04	J/mol×K	919.22	Calculated Property
Cp,gas	286.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063108; 0.0000551]	Pa×s	[359.15; 618.36]	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			-1.63754e+01
Coefficient B			4.06197e+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.			359.15
Temperature range, max.			618.36
η	0.0063108	Pa×s	359.15	Calculated Property
η	0.0027254	Pa×s	387.95	Calculated Property
η	0.0013218	Pa×s	416.75	Calculated Property
η	0.0007040	Pa×s	445.55	Calculated Property
η	0.0004047	Pa×s	474.36	Calculated Property
η	0.0002479	Pa×s	503.16	Calculated Property
η	0.0001601	Pa×s	531.96	Calculated Property
η	0.0001082	Pa×s	560.76	Calculated Property
η	0.0000759	Pa×s	589.56	Calculated Property
η	0.0000551	Pa×s	618.36	Calculated Property

Similar Compounds

Find more compounds similar to 3-Bromo-5-chloro-2-hydroxybenzaldehyde.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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