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Properties of diacetone alcohol

Thermophysical properties for diacetone alcohol (CAS: 123-42-2). Use the selector below to view properties in different unit systems.

Calculation Conditions

The following state-dependent properties were calculated at these standard conditions.

Temperature

25 °C

Pressure

1.01325 bar

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Identification

  • Atoms
    C: 6, H: 12, O: 2
  • CAS
    123-42-2
  • Formula
    C6H12O2
  • ID
    123-42-2
  • InChI
    C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
  • InChI Key
    SWXVUIWOUIDPGS-UHFFFAOYSA-N
  • IUPAC Name
    4-methyl-4-oxidanyl-pentan-2-one
  • Molecular Weight (kg)
    116.158
  • Phase
    l
  • PubChem ID
    3.1256e+4
  • SMILES
    CC(=O)CC(C)(C)O
  • Synonyms

Physical Properties

  • Acentric factor
    0.7565
  • Critical pressure (bar)
    36.0008
  • Critical temperature (°C)
    332.85
  • Critical volume (m³/kmol)
    0.374
  • Dipole moment
    3.24016
  • Melting temperature (°C)
    -47
  • Normal boiling temperature (°C)
    167.9

State-dependent Properties

  • API gravity
    15.1903
  • Compressibility factor
    0.00496202
  • Density (kg/m³)
    956.841
  • Dynamic viscosity (cP)
    0.654651
  • Enthalpy of vaporization (mass) (kJ)
    531.239
  • Enthalpy of vaporization (molar) (kJ/kmol)
    6.1708e+4
  • Gibbs free energy (kJ/kmol)
    0
  • Joule–Thomson coefficient
    -4.3733e-7
  • Kinematic viscosity
    6.8418e-7
  • Molar enthalpy (kJ/kmol)
    0
  • Molar entropy (kJ/(kmol·K))
    0
  • Molar heat capacity (kJ/(kmol·K))
    213.978
  • Molar volume (m³/kmol)
    0.121398
  • Parachor
    5.3487e-5
  • Poynting correction factor
    1.00496
  • Prandtl number
    8.8984
  • Saturation pressure (bar)
    0.00236204
  • Saturation temperature (°C)
    160.295
  • Solubility parameter
    2.2088e+4
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    0.957782
  • Specific heat capacity (kJ/kg·K)
    1.84213
  • Surface tension
    0.0369421
  • Thermal conductivity
    0.135525
  • Thermal diffusivity
    7.6888e-8

Safety Properties

  • Autoignition temperature (°C)
    680
  • Flash point temperature (°C)
    58
  • Lower flammability limit
    0.018
  • Upper flammability limit
    0.069

Environmental Properties

  • Global warming potential
  • Ozone depletion potential