Trimyristin C45H86O6 structure

Flashcard maker : Jacob Herring

C45H86O6 structure
Molecular Formula C45H86O6
Average mass 723.161 Da
Density 0.9┬▒0.1 g/cm3
Boiling Point 703.5┬▒27.0 °C at 760 mmHg
Flash Point 270.9┬▒23.8 °C
Molar Refractivity 215.8┬▒0.3 cm3
Polarizability 85.6┬▒0.5 10-24cm3
Surface Tension 34.4┬▒3.0 dyne/cm
Molar Volume 782.2┬▒3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      57 ┬░C TCI G0088
      56-57 ┬░C Indofine
      [33-1400]
      ,
      [33-1400]
      56.5 ┬░C Jean-Claude Bradley Open Melting Point Dataset 19554
      56-57 ┬░C Indofine
      [33-1400]
      ,
      [33-1400]
      ,
      [33-1400]
      58.5 ┬░C FooDB FDB002889
  • Predicted Physico-chemical Properties
    • Predicted Melting Point:

      57 ┬░C TCI
      57 ┬░C TCI G0088
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 098730
  • Gas Chromatography
    • Retention Index (Kovats):

      4932 (estimated with error: 47) NIST Spectra mainlib_36531, replib_233185

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

Density: 0.9┬▒0.1 g/cm3
Boiling Point: 703.5┬▒27.0 °C at 760 mmHg
Vapour Pressure: 0.0┬▒2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9┬▒3.0 kJ/mol
Flash Point: 270.9┬▒23.8 °C
Index of Refraction: 1.464
Molar Refractivity: 215.8┬▒0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 18.89
ACD/LogD (pH 5.5): 18.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 85.6┬▒0.5 10-24cm3
Surface Tension: 34.4┬▒3.0 dyne/cm
Molar Volume: 782.2┬▒3.0 cm3

Click to predict properties on the Chemicalize site

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