ChemSpider 2D Image | MFCD01075451 | C57H101D9O6

MFCD01075451

  • Molecular FormulaC57H101D9O6
  • Average mass900.535 Da
  • Monoisotopic mass899.886719 Da
  • ChemSpider ID24532575

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2,3-Propanetriyl tri(18,18,18-2H3)octadecanoate [ACD/IUPAC Name]
1,2,3-Propantriyl-tri(18,18,18-2H3)octadecanoat [German] [ACD/IUPAC Name]
285979-76-2 [RN]
Glyceryl Tri(octadecanoate-18,18,18-d3)
GLYCERYL TRI(STEARATE-18,18,18-D3)
MFCD01075451
Octadecanoic-18,18,18-d3 acid, 1,2,3-propanetriyl ester [ACD/Index Name]
Propane-1,2,3-triyl tri(18,18,18-2H3)octadecanoate
Tri(18,18,18-2H3)octadécanoate de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
Tristearin-tri(18,18,18-d3)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 813.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 299.4±25.2 °C
Index of Refraction: 1.466
Molar Refractivity: 271.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 25.27
ACD/LogD (pH 5.5): 23.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 980.2±3.0 cm3

Click to predict properties on the Chemicalize site


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