ChemSpider 2D Image | 1,4,7-Heptanetriyl trinonanoate | C34H64O6

1,4,7-Heptanetriyl trinonanoate

  • Molecular FormulaC34H64O6
  • Average mass568.868 Da
  • Monoisotopic mass568.470276 Da
  • ChemSpider ID197672

More details:






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

1,4,7-Heptanetriyl trinonanoate [ACD/IUPAC Name]
1,4,7-Heptantriyl-trinonanoat [German] [ACD/IUPAC Name]
Nonanoic acid, 1,4,7-heptanetriyl ester [ACD/Index Name]
Trinonanoate de 1,4,7-heptanetriyle [French] [ACD/IUPAC Name]
1,7-BIS(NONANOYLOXY)HEPTAN-4-YL NONANOATE
5453-33-8 [RN]
63133-78-8 [RN]
HEPTANE-1,4,7-TRIYL TRINONANOATE

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

NSC18574 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 613.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 247.0±30.2 °C
Index of Refraction: 1.461
Molar Refractivity: 164.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 12.73
ACD/LogD (pH 5.5): 12.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 600.6±3.0 cm3

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