ChemSpider 2D Image | [2-(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yloxy)ethoxy](phenyl)acetic acid | C29H32O9

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

  • Molecular FormulaC29H32O9
  • Average mass524.559 Da
  • Monoisotopic mass524.204651 Da
  • ChemSpider ID8705479

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)ethoxy](phenyl)acetic acid [ACD/IUPAC Name]
[2-(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yloxy)ethoxy](phenyl)essigsäure [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)éthoxy](phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[2-[(6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]ethoxy]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 222.2±25.0 °C
Index of Refraction: 1.599
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 7.35
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 406.2±5.0 cm3

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