Chemical Properties of 5-Bromo-2-ethoxybenzaldehyde

InChI

InChI=1S/C9H9BrO2/c1-2-12-9-4-3-8(10)5-7(9)6-11/h3-6H,2H2,1H3

InChI Key

NFCBVQSSJAXEJD-UHFFFAOYSA-N

Formula

C9H9BrO2

SMILES

CCOc1ccc(Br)cc1C=O

Molecular Weight¹

229.07

• 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).
• 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, 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	[178.55; 377.39]	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			3.44910e+01
Coefficient B			6.10420e-01
Coefficient C			-3.16320e-04
Coefficient D			4.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.55	J/mol×K	273.00	Calculated Property
Cp,gas	213.01	J/mol×K	353.78	Calculated Property
Cp,gas	244.02	J/mol×K	434.56	Calculated Property
Cp,gas	271.73	J/mol×K	515.33	Calculated Property
Cp,gas	296.30	J/mol×K	596.11	Calculated Property
Cp,gas	317.88	J/mol×K	676.89	Calculated Property
Cp,gas	336.62	J/mol×K	757.67	Calculated Property
Cp,gas	352.69	J/mol×K	838.44	Calculated Property
Cp,gas	366.23	J/mol×K	919.22	Calculated Property
Cp,gas	377.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019139; 0.0002737]	Pa×s	[342.15; 564.71]	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			-1.11930e+01
Coefficient B			1.68828e+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.			342.15
Temperature range, max.			564.71
η	0.0019139	Pa×s	342.15	Calculated Property
η	0.0013724	Pa×s	366.88	Calculated Property
η	0.0010263	Pa×s	391.61	Calculated Property
η	0.0007944	Pa×s	416.34	Calculated Property
η	0.0006329	Pa×s	441.07	Calculated Property
η	0.0005165	Pa×s	465.79	Calculated Property
η	0.0004302	Pa×s	490.52	Calculated Property
η	0.0003647	Pa×s	515.25	Calculated Property
η	0.0003139	Pa×s	539.98	Calculated Property
η	0.0002737	Pa×s	564.71	Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromo-2-ethoxybenzaldehyde.

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)
• 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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