ChemSpider 2D Image | 1-(Adamantan-1-yl)-1-oxo-2-propanyl (2-fluorophenyl)acetate | C21H25FO3

1-(Adamantan-1-yl)-1-oxo-2-propanyl (2-fluorophenyl)acetate

  • Molecular FormulaC21H25FO3
  • Average mass344.420 Da
  • Monoisotopic mass344.178772 Da
  • ChemSpider ID22764565

More details:

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

(2-Fluorophényl)acétate de 1-(adamantan-1-yl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
1-(Adamantan-1-yl)-1-oxo-2-propanyl (2-fluorophenyl)acetate [ACD/IUPAC Name]
1-(Adamantan-1-yl)-1-oxo-2-propanyl-(2-fluorphenyl)acetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, 2-fluoro-, 1-methyl-2-oxo-2-tricyclo[3.3.1.13,7]dec-1-ylethyl 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: 450.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 218.3±19.4 °C
Index of Refraction: 1.558
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3307.71
ACD/KOC (pH 5.5): 11504.63
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3307.71
ACD/KOC (pH 7.4): 11504.63
Polar Surface Area: 43 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 283.7±3.0 cm3

Click to predict properties on the Chemicalize site


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