Chemical Properties of 2-Propanone, 1-(acetyloxy)- (CAS 592-20-1)

2-Propanone, 1-(acetyloxy)-

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InChI
InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3
InChI Key
DBERHVIZRVGDFO-UHFFFAOYSA-N
Formula
C5H8O3
SMILES
CC(=O)COC(C)=O
Molecular Weight1
116.12
CAS
592-20-1
Other Names
  • 1-(Acetyloxy)-2-propanone
  • 1-Acetoxy-2-propanone
  • 1-Acetoxy-propan-2-one
  • 1-Acetoxyacetone
  • 1-Acetyloxy-propan-2-one
  • 1-Hydroxy-2-propanone acetate
  • 2-Oxopropyl acetate
  • 2-Propanone, 1-hydroxy-, acetate
  • Acetol acetate
  • Acetonyl acetate
  • Acetoxy-2-propanone
  • Acetoxyacetone
  • Acetoxypropanone
  • Acetylmethyl acetate
  • Hydroxyacetone, acetate
  • NSC 2298
  • NSC 7614
  • O-Acetylacetol
Sources

Physical Properties

Property Value Unit Source
Δf -371.62 kJ/mol Joback Calculated Property
Δfgas -503.91 kJ/mol Joback Calculated Property
Δfus 13.09 kJ/mol Joback Calculated Property
Δvap 42.63 kJ/mol Joback Calculated Property
logPoct/wat 0.139 Crippen Calculated Property
Pc 3960.52 kPa Joback Calculated Property
Tboil 447.00 K NIST
Tboil 347.00 K NIST
Tc 634.74 K Joback Calculated Property
Tfus 268.20 K Joback Calculated Property
Vc 0.345 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 176.41 J/mol×K 443.96 Joback Calculated Property
η 0.0003265 Pa×s 443.96 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Butanone, 1-(acetyloxy)-. Acetic acid, propyl ester. Ethyl pyroracemate. Propanoic acid, 2-oxo-, ethyl ester. Acetoin acetate. CH3C(O)OCH(CH3)C(O)CH3. Acetic acid, 3-hydroxypropyl ester. Propyl pyruvate. 1-Propanol, 3-chloro-, acetate. Acetic acid, butyl ester. Isobutyl acetate. Propanoic acid, propyl ester. 2,4(3H,5H)-Furandione. 3-Mercaptopropylacetate. 3-mercapropropyl acetate.

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