ChemSpider 2D Image | Heptanoic 9-[3-(heptanoyloxy)-2-[(heptanoyloxy)methyl]-2-(hydroxymethyl)propoxy]-9-oxononanoic anhydride | C35H62O10

Heptanoic 9-[3-(heptanoyloxy)-2-[(heptanoyloxy)methyl]-2-(hydroxymethyl)propoxy]-9-oxononanoic anhydride

  • Molecular FormulaC35H62O10
  • Average mass642.861 Da
  • Monoisotopic mass642.434326 Da
  • ChemSpider ID95616851

More details:

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

9-[3-(Heptanoyloxy)-2-[(heptanoyloxy)methyl]-2-(hydroxymethyl)propoxy]-9-oxononansäureheptansäureanhydrid [German] [ACD/IUPAC Name]
Anhydride heptanoïque-9-[3-(heptanoyloxy)-2-[(heptanoyloxy)méthyl]-2-(hydroxyméthyl)propoxy]-9-oxononanoïque [French] [ACD/IUPAC Name]
Heptanoic 9-[3-(heptanoyloxy)-2-[(heptanoyloxy)methyl]-2-(hydroxymethyl)propoxy]-9-oxononanoic anhydride [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 675.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 193.0±25.0 °C
Index of Refraction: 1.474
Molar Refractivity: 172.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: 9.39
ACD/LogD (pH 5.5): 8.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1764519.13
ACD/LogD (pH 7.4): 8.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1764519.13
Polar Surface Area: 143 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 614.9±3.0 cm3

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