ChemSpider 2D Image | MFCD01074307 | C27H5D45O6

MFCD01074307

  • Molecular FormulaC27H5D45O6
  • Average mass515.960 Da
  • Monoisotopic mass515.643188 Da
  • ChemSpider ID24532577
  • Non-standard isotope - Non-standard isotope


More details:






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

1,2,3-Propanetriyl tri(2H15)octanoate [ACD/IUPAC Name]
1,2,3-Propantriyl-tri(2H15)octanoat [German] [ACD/IUPAC Name]
Glyceryl Tri(octanoate-d15)
MFCD01074307
Octanoic-d15 acid, 1,2,3-propanetriyl ester [ACD/Index Name]
Propane-1,2,3-triyl tri(2H15)octanoate
Tri(2H15)octanoate de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
Trioctanoin-d45 (tri-octyl-d45)
352431-24-4 [RN]
Glycerol tricaprylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 508.0±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 209.3±21.0 °C
Index of Refraction: 1.458
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 1
ACD/LogP: 9.33
ACD/LogD (pH 5.5): 9.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3711953.25
ACD/LogD (pH 7.4): 9.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3711953.25
Polar Surface Area: 79 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 485.0±3.0 cm3

Click to predict properties on the Chemicalize site






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