ChemSpider 2D Image | Octyl [(18-propyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]acetate | C32H46O8

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

  • Molecular FormulaC32H46O8
  • Average mass558.703 Da
  • Monoisotopic mass558.319275 Da
  • ChemSpider ID9585268

More details:

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

[(18-Propyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadécin-18-yl)oxy]acétate d'octyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(6,7,9,10,18,19-hexahydro-18-propyl-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]-, octyl ester [ACD/Index Name]
Octyl [(18-propyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]acetate [ACD/IUPAC Name]
Octyl-[(18-propyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]acetat [German] [ACD/IUPAC 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: 648.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 268.1±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.02
ACD/LogD (pH 5.5): 7.65
ACD/BCF (pH 5.5): 381405.59
ACD/KOC (pH 5.5): 344135.38
ACD/LogD (pH 7.4): 7.65
ACD/BCF (pH 7.4): 381405.59
ACD/KOC (pH 7.4): 344135.38
Polar Surface Area: 82 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 494.5±5.0 cm3

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