Chemical Properties of Benzaldehyde, 3-ethoxy-2-hydroxy- (CAS 492-88-6)

InChI

InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-10)9(8)11/h3-6,11H,2H2,1H3

InChI Key

OFQBYHLLIJGMNP-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

CCOc1cccc(C=O)c1O

Molecular Weight¹

166.17

CAS

492-88-6

Other Names

• 3-Ethoxy-2-hydroxybenzaldehyde
• 3-Ethoxy-2-hydroxybenzaldehye
• 3-Ethoxysalicylaldehyde
• Novovanillin
• Salicylaldehyde, 3-ethoxy-

• 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).
• 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, Enthalpy of vaporization 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	[178.90; 393.78]	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			3.08100e+00
Coefficient B			7.86320e-01
Coefficient C			-5.68320e-04
Coefficient D			1.72700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.90	J/mol×K	273.00	Calculated Property
Cp,gas	217.78	J/mol×K	353.78	Calculated Property
Cp,gas	251.63	J/mol×K	434.56	Calculated Property
Cp,gas	281.01	J/mol×K	515.33	Calculated Property
Cp,gas	306.45	J/mol×K	596.11	Calculated Property
Cp,gas	328.50	J/mol×K	676.89	Calculated Property
Cp,gas	347.72	J/mol×K	757.67	Calculated Property
Cp,gas	364.64	J/mol×K	838.44	Calculated Property
Cp,gas	379.81	J/mol×K	919.22	Calculated Property
Cp,gas	393.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008942; 0.0000547]	Pa×s	[406.08; 568.72]	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			-1.67900e+01
Coefficient B			3.96754e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			406.08
Temperature range, max.			568.72
η	0.0008942	Pa×s	406.08	Calculated Property
η	0.0005897	Pa×s	424.15	Calculated Property
η	0.0004024	Pa×s	442.22	Calculated Property
η	0.0002829	Pa×s	460.29	Calculated Property
η	0.0002043	Pa×s	478.36	Calculated Property
η	0.0001511	Pa×s	496.43	Calculated Property
η	0.0001141	Pa×s	514.51	Calculated Property
η	0.0000878	Pa×s	532.58	Calculated Property
η	0.0000688	Pa×s	550.65	Calculated Property
η	0.0000547	Pa×s	568.72	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 3-ethoxy-2-hydroxy-.

Mixtures

• Benzaldehyde, 3-ethoxy-2-hydroxy- + Carbon dioxide

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
• Influence of the aromatic ring substituents on phase equilibria of vanillins in binary systems with CO2
• Joback Method
• McGowan Method
• NIST Webbook

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