ChemSpider 2D Image | 1,2,3-Propanetriyl triisooctadecanoate | C57H110O6

1,2,3-Propanetriyl triisooctadecanoate

  • Molecular FormulaC57H110O6
  • Average mass891.480 Da
  • Monoisotopic mass890.830261 Da
  • ChemSpider ID147511

More details:






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

1,2,3-Propanetriyl triisooctadecanoate
1,2,3-Propanetriyl tris(16-methylheptadecanoate) [ACD/IUPAC Name]
1,2,3-Propantriyl-tris(16-methylheptadecanoat) [German] [ACD/IUPAC Name]
11343525 [Beilstein]
1Y1&14VO1YOV14Y1&1&1OV14Y1&1 [WLN]
248-122-5 [EINECS]
26942-95-0 [RN]
Heptadecanoic acid, 16-methyl-, 1,2,3-propanetriyl ester [ACD/Index Name]
Isooctadecanoic acid, 1,2,3-propanetriyl ester
Isostearic acid triglyceride
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

71503RH8KG [DBID]
UNII:71503RH8KG [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 806.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 296.7±25.2 °C
Index of Refraction: 1.465
Molar Refractivity: 271.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 24.72
ACD/LogD (pH 5.5): 21.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.5±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 981.4±3.0 cm3

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