ChemSpider 2D Image | Octyl (6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yloxy)acetate | C29H40O8

Octyl (6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yloxy)acetate

  • Molecular FormulaC29H40O8
  • Average mass516.623 Da
  • Monoisotopic mass516.272339 Da
  • ChemSpider ID9481859

More details:

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

(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadécin-18-yloxy)acétate d'octyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]-, octyl ester [ACD/Index Name]
Octyl (6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yloxy)acetate [ACD/IUPAC Name]
Octyl-(6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yloxy)acetat [German] [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: 627.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 263.0±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 34868.39
ACD/KOC (pH 5.5): 62094.98
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 34868.39
ACD/KOC (pH 7.4): 62094.98
Polar Surface Area: 82 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 446.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement