Trilaurin C39H74O6 structure

Flashcard maker : Kayden Hussain

C39H74O6 structure
Molecular FormulaC39H74O6
Average mass639.001 Da
Density0.9±0.1 g/cm3
Boiling Point643.3±22.0 °C at 760 mmHg
Flash Point253.5±22.4 °C
Molar Refractivity188.0±0.3 cm3
Polarizability74.5±0.5 10-24cm3
Surface Tension34.5±3.0 dyne/cm
Molar Volume683.1±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      47 °C TCI G0087
      46.5 °C Indofine
      [33-1200]
      ,
      [33-1200]
      46.5 °C Indofine
      [33-1200]
      ,
      [33-1200]
      ,
      [33-1200]
      46.5 °C FooDB FDB002906
  • Predicted Physico-chemical Properties
    • Predicted Melting Point:

      47 °C TCI
      47 °C TCI G0087
  • Gas Chromatography
    • Retention Index (Kovats):

      4336 (estimated with error: 47) NIST Spectra mainlib_233168, replib_36509, replib_154920

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

Density: 0.9±0.1 g/cm3
Boiling Point: 643.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 253.5±22.4 °C
Index of Refraction: 1.463
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 15.70
ACD/LogD (pH 5.5): 15.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 683.1±3.0 cm3

Click to predict properties on the Chemicalize site

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