ChemSpider 2D Image | (5s,7s)-1,3-Dimethyladamantane | C12H20

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

  • Molecular FormulaC12H20
  • Average mass164.287 Da
  • Monoisotopic mass164.156494 Da
  • ChemSpider ID61677447

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5s,7s)-1,3-Dimethyladamantan [German] [ACD/IUPAC Name]
(5s,7s)-1,3-Dimethyladamantane [ACD/IUPAC Name]
(5s,7s)-1,3-Diméthyladamantane [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl- [ACD/Index Name]
702-79-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 199.9±7.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 41.8±0.8 kJ/mol
Flash Point: 52.8±0.0 °C
Index of Refraction: 1.521
Molar Refractivity: 51.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2431.28
ACD/KOC (pH 5.5): 9229.47
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2431.28
ACD/KOC (pH 7.4): 9229.47
Polar Surface Area: 0 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 168.9±3.0 cm3

Click to predict properties on the Chemicalize site


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