ChemSpider 2D Image | TG(18:0/18:0/18:0) | C57H110O6


  • Molecular FormulaC57H110O6
  • Average mass891.480 Da
  • Monoisotopic mass890.830261 Da
  • ChemSpider ID10673

More details:

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

1,2,3-Propanetriyl trioctadecanoate [ACD/IUPAC Name]
1,2,3-Propantriyl-trioctadecanoat [German] [ACD/IUPAC Name]
555-43-1 [RN]
Octadecanoic acid 1,2,3-propanetriyl ester
Octadecanoic acid, 1,2,3-propanetriyl ester [ACD/Index Name]
Propane-1,2,3-triyl trioctadecanoate
Trioctadécanoate de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]

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

69498_FLUKA [DBID]
91040_FLUKA [DBID]
93495_FLUKA [DBID]
AI3-01633 [DBID]
BRN 1717202 [DBID]
BRN 1810343 [DBID]
C13044 [DBID]
D01587 [DBID]
HSDB 5690 [DBID]
LMGL03010002 [DBID]

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

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

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