Chemical Properties of Acetaldehyde, methoxy-

InChI

InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3

InChI Key

YSEFYOVWKJXNCH-UHFFFAOYSA-N

Formula

C3H6O2

SMILES

COCC=O

Molecular Weight¹

74.08

Other Names

• Methoxyacetaldehyde
• Acetaldehyde, 2-methoxy-
• «alpha»-Methoxyacetaldehyde
• 2-Methoxyacetaldehyde
• Methoxyethanal

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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, 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	[89.44; 183.38]	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			3.70610e+01
Coefficient B			2.00120e-01
Coefficient C			-2.14000e-05
Coefficient D			-3.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	89.44	J/mol×K	273.00	Calculated Property
Cp,gas	103.75	J/mol×K	353.78	Calculated Property
Cp,gas	117.32	J/mol×K	434.56	Calculated Property
Cp,gas	130.07	J/mol×K	515.33	Calculated Property
Cp,gas	141.89	J/mol×K	596.11	Calculated Property
Cp,gas	152.67	J/mol×K	676.89	Calculated Property
Cp,gas	162.31	J/mol×K	757.67	Calculated Property
Cp,gas	170.71	J/mol×K	838.44	Calculated Property
Cp,gas	177.77	J/mol×K	919.22	Calculated Property
Cp,gas	183.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022862; 0.0002275]	Pa×s	[187.80; 359.37]	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			-1.09139e+01
Coefficient B			9.07640e+02
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.			187.80
Temperature range, max.			359.37
η	0.0022862	Pa×s	187.80	Calculated Property
η	0.0014645	Pa×s	206.86	Calculated Property
η	0.0010113	Pa×s	225.93	Calculated Property
η	0.0007398	Pa×s	244.99	Calculated Property
η	0.0005662	Pa×s	264.05	Calculated Property
η	0.0004492	Pa×s	283.12	Calculated Property
η	0.0003670	Pa×s	302.18	Calculated Property
η	0.0003071	Pa×s	321.25	Calculated Property
η	0.0002621	Pa×s	340.31	Calculated Property
η	0.0002275	Pa×s	359.37	Calculated Property

Similar Compounds

Find more compounds similar to Acetaldehyde, methoxy-.

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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