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Properties of androst-4-en-3-one, 17-hydroxy-17-methyl-4-[(phenylthio)methyl]-, (17β)-

Thermophysical properties for androst-4-en-3-one, 17-hydroxy-17-methyl-4-[(phenylthio)methyl]-, (17β)- (CAS: 71507-77-2). 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: 27, H: 36, O: 2, S: 1
  • CAS
    71507-77-2
  • Formula
    C27H36O2S
  • ID
    71507-77-2
  • InChI
    C27H36O2S/c1-25-14-13-24(28)20(17-30-18-7-5-4-6-8-18)21(25)10-9-19-22(25)11-15-26(2)23(19)12-16-27(26,3)29/h4-8,19,22-23,29H,9-17H2,1-3H3/t19-,22+,23+,25+,26+,27+/m1/s1
  • InChI Key
    ZTHICPNHMULZDY-AYEIPMSGSA-N
  • IUPAC Name
    (8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13,17-trimethyl-4-(phenylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • Molecular Weight (kg)
    424.639
  • Phase
    s
  • PubChem ID
    5.4565e+7
  • SMILES
    C[C@]12CCC(=O)C(CSc3ccccc3)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    14.6237
  • Critical temperature (°C)
    1114.99
  • Critical volume (m³/kmol)
    1.2855
  • Dipole moment
  • Melting temperature (°C)
    137
  • Normal boiling temperature (°C)
    848.48

State-dependent Properties

  • API gravity
    -15.9934
  • Compressibility factor
    0.012773
  • Density (kg/m³)
    1358.86
  • 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))
    563.892
  • Molar volume (m³/kmol)
    0.312496
  • Parachor
    1.7393e-4
  • Poynting correction factor
    1.01433
  • Prandtl number
  • Saturation pressure (bar)
    2.1265e-17
  • Saturation temperature (°C)
    848.48
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.3602
  • Specific heat capacity (kJ/kg·K)
    1.32793
  • Surface tension
    0.0587873
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00328162
  • Upper flammability limit
    0.0208831

Environmental Properties

  • Global warming potential
  • Ozone depletion potential