ChemSpider 2D Image | (3s,5s,7s)-1-Phenyladamantane | C16H20

(3s,5s,7s)-1-Phenyladamantane

  • Molecular FormulaC16H20
  • Average mass212.330 Da
  • Monoisotopic mass212.156494 Da
  • ChemSpider ID29367600

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-1-Phenyladamantan [German] [ACD/IUPAC Name]
(3s,5s,7s)-1-Phenyladamantane [ACD/IUPAC Name]
(3s,5s,7s)-1-Phényladamantane [French] [ACD/IUPAC Name]
780-68-7 [RN]
Tricyclo[3.3.1.13,7]decane, 1-phenyl- [ACD/Index Name]
(1s,3R,5S,7s)-1-phenyladamantane
(3r,5r,7r)-1-phenyladamantane
MFCD00154936 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 310.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 52.9±0.8 kJ/mol
Flash Point: 136.7±9.1 °C
Index of Refraction: 1.586
Molar Refractivity: 66.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4045.15
ACD/KOC (pH 5.5): 13287.32
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4045.15
ACD/KOC (pH 7.4): 13287.32
Polar Surface Area: 0 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 198.4±3.0 cm3

Click to predict properties on the Chemicalize site


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