hexaphenylbenzene C42H30 structure – Flashcards

Flashcard maker : Lisa Currey

Molecular Formula C42H30
Average mass 534.688 Da
Density 1.1±0.1 g/cm3
Boiling Point 534.8±45.0 °C at 760 mmHg
Flash Point 284.0±22.8 °C
Molar Refractivity 173.8±0.3 cm3
Polarizability 68.9±0.5 10-24cm3
Surface Tension 45.2±3.0 dyne/cm
Molar Volume 481.1±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      300 °C Alfa Aesar
      300 °C Alfa Aesar L00446
      300 °C SynQuest 75210, 1600-1-02
  • Miscellaneous
    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar L00446
      Irritant SynQuest 1600-1-02, 75210
      R36/37/38 SynQuest 1600-1-02, 75210
      S13,S22,S24/25,S26,S28,S36/37/39,S45 SynQuest 1600-1-02, 75210
  • Gas Chromatography
    • Retention Index (Kovats):

      4801 (estimated with error: 55) NIST Spectra mainlib_61521

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 78.1±0.8 kJ/mol
Flash Point: 284.0±22.8 °C
Index of Refraction: 1.642
Molar Refractivity: 173.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 11.43
ACD/LogD (pH 5.5): 10.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 481.1±3.0 cm3

Click to predict properties on the Chemicalize site

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