17,21-Dihydroxypregna-1,4-diene-3,11,20-trione C21H26O5 structure – Flashcards

Flashcard maker : Maddison Bailey

Molecular Formula C21H26O5
Average mass 358.428 Da
Density 1.3±0.1 g/cm3
Boiling Point 573.7±50.0 °C at 760 mmHg
Flash Point 314.8±26.6 °C
Molar Refractivity 94.1±0.4 cm3
Polarizability 37.3±0.5 10-24cm3
Surface Tension 58.6±5.0 dyne/cm
Molar Volume 273.6±5.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      233 °C (Decomposes) LKT Labs
      [P7020]
    • Experimental LogP:

      1.568 Vitas-M STL069503
    • Experimental Solubility:

      Slightly soluble in water. LKT Labs
      [P7020]
  • Predicted Physico-chemical Properties
    • Predicted Melting Point:

      236-238 °C Enamine EN300-49849
  • Miscellaneous
    • Safety:

      361d LKT Labs
      [P7020]
      63 LKT Labs
      [P7020]
      IRRITANT Matrix Scientific 054638
      Repr. LKT Labs
      [P7020]
  • Gas Chromatography
    • Retention Index (Kovats):

      2794 (estimated with error: 174) NIST Spectra mainlib_247957, replib_247024

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 573.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.7±6.0 kJ/mol
Flash Point: 314.8±26.6 °C
Index of Refraction: 1.604
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.42
ACD/KOC (pH 5.5): 186.31
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.42
ACD/KOC (pH 7.4): 186.31
Polar Surface Area: 92 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 273.6±5.0 cm3

Click to predict properties on the Chemicalize site

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