ChemSpider 2D Image | 2-(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yloxy)dodecanoic acid | C31H44O8

2-(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yloxy)dodecanoic acid

  • Molecular FormulaC31H44O8
  • Average mass544.676 Da
  • Monoisotopic mass544.303589 Da
  • ChemSpider ID8753845

More details:

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

2-(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yloxy)dodecanoic acid [ACD/IUPAC Name]
2-(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yloxy)dodecansäure [German] [ACD/IUPAC Name]
Acide 2-(6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadécin-18-yloxy)dodécanoïque [French] [ACD/IUPAC Name]
Dodecanoic acid, 2-[(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: 1.2±0.1 g/cm3
Boiling Point: 678.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 212.4±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 1085.86
ACD/KOC (pH 5.5): 1387.51
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 33.48
ACD/KOC (pH 7.4): 42.78
Polar Surface Area: 93 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 470.5±5.0 cm3

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