ChemSpider 2D Image | [(18-Decyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]acetonitrile | C31H43NO6

[(18-Decyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]acetonitrile

  • Molecular FormulaC31H43NO6
  • Average mass525.676 Da
  • Monoisotopic mass525.309021 Da
  • ChemSpider ID9202960

More details:

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

[(18-Decyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]acetonitril [German] [ACD/IUPAC Name]
[(18-Decyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]acetonitrile [ACD/IUPAC Name]
[(18-Décyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadécin-18-yl)oxy]acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[(18-decyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]- [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: 635.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 204.9±24.4 °C
Index of Refraction: 1.543
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 7.80
ACD/BCF (pH 5.5): 499487.88
ACD/KOC (pH 5.5): 417422.56
ACD/LogD (pH 7.4): 7.80
ACD/BCF (pH 7.4): 499487.88
ACD/KOC (pH 7.4): 417422.56
Polar Surface Area: 79 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 469.2±5.0 cm3

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