Irganox 1010 C73H108O12 structure – Flashcards

Flashcard maker : Roy Johnson

Molecular Formula C73H108O12
Average mass 1177.631 Da
Density 1.1±0.1 g/cm3
Boiling Point 1005.8±60.0 °C at 760 mmHg
Flash Point 247.3±26.4 °C
Molar Refractivity 340.4±0.3 cm3
Polarizability 135.0±0.5 10-24cm3
Surface Tension 39.2±3.0 dyne/cm
Molar Volume 1093.2±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      115 °C TCI P0932
      115-118 °C Matrix Scientific 097605
      115-118 °C LabNetwork LN00196015
    • Experimental Boiling Point:

      281 °C / 760 mmHg Matrix Scientific 097605
    • Experimental LogP:

      18.888 Vitas-M STK367172
    • Experimental Gravity:

      1.116 g/mL Matrix Scientific 097605
  • Predicted Physico-chemical Properties
    • Predicted Melting Point:

      115 °C TCI
      115 °C TCI P0932
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 097605
  • Gas Chromatography
    • Retention Index (Kovats):

      8485 (estimated with error: 89) NIST Spectra mainlib_279803

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1005.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.8±3.0 kJ/mol
Flash Point: 247.3±26.4 °C
Index of Refraction: 1.535
Molar Refractivity: 340.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: 18.89
ACD/LogD (pH 5.5): 18.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 186 Å2
Polarizability: 135.0±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 1093.2±3.0 cm3

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

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