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

2-Methyl-2-propanyl [(18-propyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]acetate

  • Molecular FormulaC28H38O8
  • Average mass502.596 Da
  • Monoisotopic mass502.256653 Da
  • ChemSpider ID9527532

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 de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(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]
2-Methyl-2-propanyl-[(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]
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]-, 1,1-dimethylethyl ester [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: 601.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 252.9±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2774.67
ACD/KOC (pH 5.5): 10144.87
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2774.67
ACD/KOC (pH 7.4): 10144.87
Polar Surface Area: 82 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 430.7±5.0 cm3

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