Tetratetracontane C44H90 structure – Flashcards

Flashcard maker : Patrick Thompson

C44H90 structure
Molecular Formula C44H90
Average mass 619.185 Da
Density 0.8±0.1 g/cm3
Boiling Point 547.6±13.0 °C at 760 mmHg
Flash Point 448.2±9.4 °C
Molar Refractivity 205.9±0.3 cm3
Polarizability 81.6±0.5 10-24cm3
Surface Tension 31.1±3.0 dyne/cm
Molar Volume 754.8±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      86-90 °C Alfa Aesar A15449
      52-54 °C Indofine
      [05-4400]
      ,
      [05-4400]
      87.5 °C Jean-Claude Bradley Open Melting Point Dataset 17741
      88 °C Jean-Claude Bradley Open Melting Point Dataset 8508
      52-54 °C Indofine
      [05-4400]
      ,
      [05-4400]
      ,
      [05-4400]
  • Miscellaneous
    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A15449
  • Gas Chromatography
    • Retention Index (Kovats):

      4395 (estimated with error: 39) NIST Spectra mainlib_154925, replib_18540, replib_23773

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

Density: 0.8±0.1 g/cm3
Boiling Point: 547.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 79.6±0.8 kJ/mol
Flash Point: 448.2±9.4 °C
Index of Refraction: 1.458
Molar Refractivity: 205.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 24.14
ACD/LogD (pH 5.5): 21.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 754.8±3.0 cm3

Click to predict properties on the Chemicalize site

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