Chemical Properties of Acrolein,dimethyl acetal (CAS 6044-68-4)

InChI

InChI=1S/C5H10O2/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3

InChI Key

OBWGMYALGNDUNM-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

C=CC(OC)OC

Molecular Weight¹

102.13

CAS

6044-68-4

Other Names

• 1-Propene, 3,3-dimethoxy-
• 3,3-Dimethoxypropene-1
• 3,3-dimethoxypropene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, 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	[132.24; 286.31]	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			4.46700e+01
Coefficient B			3.38340e-01
Coefficient C			-5.23000e-05
Coefficient D			-4.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	132.24	J/mol×K	273.00	Calculated Property
Cp,gas	155.86	J/mol×K	353.78	Calculated Property
Cp,gas	178.18	J/mol×K	434.56	Calculated Property
Cp,gas	199.06	J/mol×K	515.33	Calculated Property
Cp,gas	218.37	J/mol×K	596.11	Calculated Property
Cp,gas	235.96	J/mol×K	676.89	Calculated Property
Cp,gas	251.68	J/mol×K	757.67	Calculated Property
Cp,gas	265.41	J/mol×K	838.44	Calculated Property
Cp,gas	277.00	J/mol×K	919.22	Calculated Property
Cp,gas	286.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035623; 0.0001700]	Pa×s	[173.81; 369.69]	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			-1.13797e+01
Coefficient B			9.98080e+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.			173.81
Temperature range, max.			369.69
η	0.0035623	Pa×s	173.81	Calculated Property
η	0.0018801	Pa×s	195.57	Calculated Property
η	0.0011278	Pa×s	217.34	Calculated Property
η	0.0007425	Pa×s	239.10	Calculated Property
η	0.0005241	Pa×s	260.87	Calculated Property
η	0.0003904	Pa×s	282.63	Calculated Property
η	0.0003033	Pa×s	304.40	Calculated Property
η	0.0002437	Pa×s	326.16	Calculated Property
η	0.0002012	Pa×s	347.93	Calculated Property
η	0.0001700	Pa×s	369.69	Calculated Property

Similar Compounds

Find more compounds similar to Acrolein,dimethyl acetal.

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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