ChemSpider 2D Image | 4-[(3s,5s,7s)-Adamantan-1-yl]phenyl acetate | C18H22O2

4-[(3s,5s,7s)-Adamantan-1-yl]phenyl acetate

  • Molecular FormulaC18H22O2
  • Average mass270.366 Da
  • Monoisotopic mass270.161987 Da
  • ChemSpider ID110449896

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-[(3s,5s,7s)-Adamantan-1-yl]phenyl acetate [ACD/IUPAC Name]
4-[(3s,5s,7s)-Adamantan-1-yl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[(3s,5s,7s)-adamantan-1-yl]phényle [French] [ACD/IUPAC Name]
Phenol, 4-tricyclo[3.3.1.13,7]dec-1-yl-, acetate [ACD/Index 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: 377.5±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 126.5±11.0 °C
Index of Refraction: 1.574
Molar Refractivity: 77.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2549.02
ACD/KOC (pH 5.5): 9547.23
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2549.02
ACD/KOC (pH 7.4): 9547.23
Polar Surface Area: 26 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 236.0±3.0 cm3

Click to predict properties on the Chemicalize site


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