ChemSpider 2D Image | 6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2-ylmethyl ethyl malonate | C30H40O12

6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2-ylmethyl ethyl malonate

  • Molecular FormulaC30H40O12
  • Average mass592.631 Da
  • Monoisotopic mass592.251953 Da
  • ChemSpider ID8754724

More details:

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

6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2-ylmethyl ethyl malonate [ACD/IUPAC Name]
6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2-ylmethyl-ethyl-malonat [German] [ACD/IUPAC Name]
Malonate de 6,7,9,10,12,13,20,21,23,24,26,27-dodécahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotétracosin-2-ylméthyle et d'éthyle [French] [ACD/IUPAC Name]
Propanedioic acid, (6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenz[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2-yl)methyl ethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 690.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 286.6±31.5 °C
Index of Refraction: 1.485
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.09
ACD/KOC (pH 5.5): 276.52
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.09
ACD/KOC (pH 7.4): 276.50
Polar Surface Area: 126 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 519.5±3.0 cm3

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