Chemical Properties of 2-Butanone, 4,4-dimethoxy- (CAS 5436-21-5)

2-Butanone, 4,4-dimethoxy-

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InChI
InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3
InChI Key
PJCCSZUMZMCWSX-UHFFFAOYSA-N
Formula
C6H12O3
SMILES
COC(CC(C)=O)OC
Molecular Weight1
132.16
CAS
5436-21-5
Other Names
  • 1,1-Dimethoxy-3-butanone
  • 3-Ketobutyraldehyde dimethylacetal
  • 3-Oxobutyraldehyde 1-(dimethylacetal)
  • 3-Oxobutyraldehyde dimethyl acetal
  • 4,4-Dimethoxy-2-butanone
  • 4,4-dimethoxybutanone
  • Acetoacetaldehyde dimethyl acetal
  • Acetoacetaldehyde, 1-(dimethyl acetal)
  • Acetylacetaldehyddimethylacetal
  • Acetylacetaldehyde dimethyl acetal
  • Formylacetone dimethyl acetal
  • NSC 21538
  • NSC 59721
  • «beta»-Oxobutyraldehyde dimethyl acetal
Sources

Physical Properties

Property Value Unit Source
Δf -341.72 kJ/mol Joback Calculated Property
Δfgas -549.47 kJ/mol Joback Calculated Property
Δfus 11.75 kJ/mol Joback Calculated Property
Δvap 40.13 kJ/mol Joback Calculated Property
logPoct/wat 0.58 Crippen Calculated Property
Pc 3239.34 kPa Joback Calculated Property
Tboil 344.70 K NIST
Tc 616.32 K Joback Calculated Property
Tfus 236.77 K Joback Calculated Property
Vc 0.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 221.96 J/mol×K 434.95 Joback Calculated Property
η 0.00 Pa×s 434.95 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH2- 1
>C=O (nonring) 1
-CH3 3

Similar Compounds

Butanal dimethyl acetal. 1,1-Dimethoxy-3-methylbutane. 4,4-Dimethoxybutyronitrile. Pentane, 1,1-dimethoxy. 2-Butanone, 4-methoxy-. 1,1-Dimethoxy-3,3-dimethylbutane. Hexanal dimethyl acetal. Heptanal, 7,7-dimethoxy-. 1,1-Dimethoxy-2-methylbutane. Methyl 3,3-dimethoxypropionate. Butane, 1,1,3-trimethoxy-. Trimethyl orthobutyrate. Butane, 1,1-diethoxy-. Heptane, 1,1-dimethoxy-. Propane, 1,1-dimethoxy-.

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