ChemSpider 2D Image | 1,10-Decanediyl bis(9-butyl-1-methyl-9H-beta-carboline-3-carboxylate) | C44H54N4O4

1,10-Decanediyl bis(9-butyl-1-methyl-9H-β-carboline-3-carboxylate)

  • Molecular FormulaC44H54N4O4
  • Average mass702.924 Da
  • Monoisotopic mass702.414490 Da
  • ChemSpider ID58984214

More details:

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

1,10-Decandiyl-bis(9-butyl-1-methyl-9H-β-carbolin-3-carboxylat) [German] [ACD/IUPAC Name]
1,10-Decanediyl bis(9-butyl-1-methyl-9H-β-carboline-3-carboxylate) [ACD/IUPAC Name]
9H-Pyrido[3,4-b]indole-3-carboxylic acid, 9-butyl-1-methyl-, 1,10-decanediyl ester [ACD/Index Name]
Bis(9-butyl-1-méthyl-9H-β-carboline-3-carboxylate) de 1,10-décanediyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 779.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 424.9±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 207.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 12.26
ACD/LogD (pH 5.5): 9.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 515085.97
ACD/LogD (pH 7.4): 10.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 88 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 603.1±7.0 cm3

Click to predict properties on the Chemicalize site


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