ChemSpider 2D Image | 1717683 | C33H62O6

1717683

  • Molecular FormulaC33H62O6
  • Average mass554.842 Da
  • Monoisotopic mass554.454651 Da
  • ChemSpider ID62521

More details:






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

1,2,3-Propanetriyl tridecanoate [ACD/IUPAC Name]
1,2,3-Propantriyltridecanoat [German]
1,2,3-Propantriyl-tridecanoat [German] [ACD/IUPAC Name]
1,2,3-Tricaprinoylglycerol
1,2,3-Tridecanoyl Glycerol
1,2,3-Tridecanoylglycerol
1717683
2,3-bis(decanoyloxy)propyl decanoate|TRICAPRIN
247-765-9 [EINECS]
621-71-6 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

91022_FLUKA [DBID]
91040_FLUKA [DBID]
93495_FLUKA [DBID]
AI3-36968 [DBID]
bmse000566 [DBID]
BRN 1717202 [DBID]
BRN 1717683 [DBID]
BRN 1810343 [DBID]
C13044 [DBID]
D01587 [DBID]
More...

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

Density: 0.9±0.1 g/cm3
Boiling Point: 578.6±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 233.3±21.0 °C
Index of Refraction: 1.461
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 12.52
ACD/LogD (pH 5.5): 12.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 584.1±3.0 cm3

Click to predict properties on the Chemicalize site






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