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Properties of diatoxanthin

Thermophysical properties for diatoxanthin (CAS: 31063-73-7). 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: 40, H: 54, O: 2
  • CAS
    31063-73-7
  • Formula
    C40H54O2
  • ID
    31063-73-7
  • InChI
    C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
  • InChI Key
    HNYJHQMUSVNWPV-DRCJTWAYSA-N
  • IUPAC Name
    (1r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e)-18-[(4r)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol
  • Molecular Weight (kg)
    566.856
  • Phase
    s
  • PubChem ID
    6.4410e+6
  • SMILES
    CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    6.81003
  • Critical temperature (°C)
    1471.16
  • Critical volume (m³/kmol)
    1.9515
  • Dipole moment
  • Melting temperature (°C)
    504.35
  • Normal boiling temperature (°C)
    708.3

State-dependent Properties

  • API gravity
    -53.2276
  • Compressibility factor
    0.0127082
  • Density (kg/m³)
    1823.21
  • 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))
    803.782
  • Molar volume (m³/kmol)
    0.310911
  • Parachor
    8.3084e-5
  • Poynting correction factor
    1.01295
  • Prandtl number
  • Saturation pressure (bar)
    4.6743e-5
  • Saturation temperature (°C)
    708.3
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.825
  • Specific heat capacity (kJ/kg·K)
    1.41797
  • Surface tension
    0.00460046
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    272.9
  • Lower flammability limit
    0.00219211
  • Upper flammability limit
    0.0139498

Environmental Properties

  • Global warming potential
  • Ozone depletion potential