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Properties of (22β)-22-[[(2Z)-2-Methyl-1-oxo-2-buten-1-yl]oxy]-3-oxoolean-12-en-28-oic acid

Thermophysical properties for (22β)-22-[[(2Z)-2-Methyl-1-oxo-2-buten-1-yl]oxy]-3-oxoolean-12-en-28-oic acid (CAS: 467-81-2). 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: 35, H: 52, O: 5
  • CAS
    467-81-2
  • Formula
    C35H52O5
  • ID
    467-81-2
  • InChI
    C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1
  • InChI Key
    KCLIRHUTOPOHKJ-LSZVMECJSA-N
  • IUPAC Name
    (4r,4as,6ar,6as,6br,8ar,12ar,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(z)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
  • Molecular Weight (kg)
    552.784
  • Phase
    s
  • PubChem ID
    6.4366e+6
  • SMILES
    C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    8.4456
  • Critical temperature (°C)
    1345.36
  • Critical volume (m³/kmol)
    1.7315
  • Dipole moment
  • Melting temperature (°C)
    297
  • Normal boiling temperature (°C)
    1048.66

State-dependent Properties

  • API gravity
    -46.6516
  • Compressibility factor
    0.0126779
  • Density (kg/m³)
    1782.2
  • 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))
    773.597
  • Molar volume (m³/kmol)
    0.310169
  • Parachor
    1.4790e-4
  • Poynting correction factor
    1.0137
  • Prandtl number
  • Saturation pressure (bar)
    5.7249e-18
  • Saturation temperature (°C)
    1048.66
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.78396
  • Specific heat capacity (kJ/kg·K)
    1.39945
  • Surface tension
    0.036843
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00252781
  • Upper flammability limit
    0.016086

Environmental Properties

  • Global warming potential
  • Ozone depletion potential