ChemSpider 2D Image | [(18-Heptyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]acetic acid | C28H38O8

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

  • Molecular FormulaC28H38O8
  • Average mass502.596 Da
  • Monoisotopic mass502.256653 Da
  • ChemSpider ID8848420

More details:

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

[(18-Heptyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]acetic acid [ACD/IUPAC Name]
[(18-Heptyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(18-heptyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]- [ACD/Index Name]
Acide [(18-heptyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadécin-18-yl)oxy]acétique [French] [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: 648.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 208.3±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 52.83
ACD/KOC (pH 5.5): 136.62
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 2.32
ACD/KOC (pH 7.4): 5.99
Polar Surface Area: 93 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 421.5±5.0 cm3

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