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IRGANOX 1330 C54H78O3 structure

Flashcard maker : Paula Corcoran

Molecular Formula C54H78O3
Average mass 775.195 Da
Density 1.0±0.1 g/cm3
Boiling Point 730.0±55.0 °C at 760 mmHg
Flash Point 240.0±26.1 °C
Molar Refractivity 244.6±0.3 cm3
Polarizability 97.0±0.5 10-24cm3
Surface Tension 35.7±3.0 dyne/cm
Molar Volume 771.9±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      243 °C TCI T0916
  • Predicted Physico-chemical Properties
    • Predicted Melting Point:

      243 °C TCI
      243 °C TCI T0916
  • Miscellaneous
    • Safety:

      GHS07 Biosynth W-107879
      H302; H315; H319; H335 Biosynth W-107879
      P261; P305+P351+P338 Biosynth W-107879
      Warning Biosynth W-107879
  • Gas Chromatography
    • Retention Index (Kovats):

      6002 (estimated with error: 70) NIST Spectra mainlib_233186, replib_248950

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

Density: 1.0±0.1 g/cm3
Boiling Point: 730.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 240.0±26.1 °C
Index of Refraction: 1.547
Molar Refractivity: 244.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 17.49
ACD/LogD (pH 5.5): 16.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 61 Å2
Polarizability: 97.0±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 771.9±3.0 cm3

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