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Properties of atovaquone

Thermophysical properties for atovaquone (CAS: 95233-18-4). 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: 22, Cl: 1, H: 19, O: 3
  • CAS
    95233-18-4
  • Formula
    C22H19ClO3
  • ID
    95233-18-4
  • InChI
    C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-
  • InChI Key
    KUCQYCKVKVOKAY-CTYIDZIISA-N
  • IUPAC Name
    atovaquone
  • Molecular Weight (kg)
    366.837
  • Phase
    s
  • PubChem ID
    -1
  • SMILES
    O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    20.5303
  • Critical temperature (°C)
    1064.01
  • Critical volume (m³/kmol)
    1.0015
  • Dipole moment
  • Melting temperature (°C)
    217.5
  • Normal boiling temperature (°C)
    798.06

State-dependent Properties

  • API gravity
    -23.0562
  • Compressibility factor
    0.0104924
  • Density (kg/m³)
    1429.05
  • Dynamic viscosity (cP)
    0
  • Enthalpy of vaporization (mass) (kJ)
    0
  • Enthalpy of vaporization (molar) (kJ/kmol)
  • Gibbs free energy (kJ/kmol)
    0
  • Joule–Thomson coefficient
  • Kinematic viscosity
  • Molar enthalpy (kJ/kmol)
    0
  • Molar entropy (kJ/(kmol·K))
    0
  • Molar heat capacity (kJ/(kmol·K))
    402.577
  • Molar volume (m³/kmol)
    0.2567
  • Parachor
    1.5110e-4
  • Poynting correction factor
    1.01161
  • Prandtl number
  • Saturation pressure (bar)
    9.3617e-18
  • Saturation temperature (°C)
    798.06
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.43046
  • Specific heat capacity (kJ/kg·K)
    1.09743
  • Surface tension
    0.0782828
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00453833
  • Upper flammability limit
    0.0288803

Environmental Properties

  • Global warming potential
  • Ozone depletion potential