Chemical Properties of Benzaldehyde, 5-bromo-2-hydroxy- (CAS 1761-61-1)

InChI

InChI=1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H

InChI Key

MKKSTJKBKNCMRV-UHFFFAOYSA-N

Formula

C7H5BrO2

SMILES

O=Cc1cc(Br)ccc1O

Molecular Weight¹

201.02

CAS

1761-61-1

Other Names

• 5-Bromo-2-hydroxybenzaldehyde
• 5-Bromosalicylaldehyde
• 2-Hydroxy-5-bromobenzaldehyde
• Salicylaldehyde, 5-bromo-
• 5-Bromo-salicyclaldehyde

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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 formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[135.06; 281.17]	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			-1.24100e+01
Coefficient B			6.97700e-01
Coefficient C			-6.41920e-04
Coefficient D			2.37800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.06	J/mol×K	273.00	Calculated Property
Cp,gas	164.61	J/mol×K	353.78	Calculated Property
Cp,gas	189.07	J/mol×K	434.56	Calculated Property
Cp,gas	209.21	J/mol×K	515.33	Calculated Property
Cp,gas	225.76	J/mol×K	596.11	Calculated Property
Cp,gas	239.49	J/mol×K	676.89	Calculated Property
Cp,gas	251.14	J/mol×K	757.67	Calculated Property
Cp,gas	261.47	J/mol×K	838.44	Calculated Property
Cp,gas	271.23	J/mol×K	919.22	Calculated Property
Cp,gas	281.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009370; 0.0000675]	Pa×s	[421.11; 585.74]	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			-1.63336e+01
Coefficient B			3.94191e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			421.11
Temperature range, max.			585.74
η	0.0009370	Pa×s	421.11	Calculated Property
η	0.0006346	Pa×s	439.40	Calculated Property
η	0.0004434	Pa×s	457.69	Calculated Property
η	0.0003185	Pa×s	475.99	Calculated Property
η	0.0002344	Pa×s	494.28	Calculated Property
η	0.0001763	Pa×s	512.57	Calculated Property
η	0.0001353	Pa×s	530.86	Calculated Property
η	0.0001056	Pa×s	549.15	Calculated Property
η	0.0000838	Pa×s	567.45	Calculated Property
η	0.0000675	Pa×s	585.74	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 5-bromo-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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