ChemSpider 2D Image | (3r)-1-(~2~H_15_)Adamantanol | C10HD15O

(3r)-1-(2H15)Adamantanol

  • Molecular FormulaC10HD15O
  • Average mass167.326 Da
  • Monoisotopic mass167.214264 Da
  • ChemSpider ID129160511
  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3r)-1-(2H15)Adamantanol [German] [ACD/IUPAC Name]
(3r)-1-(2H15)Adamantanol [ACD/IUPAC Name]
(3r)-1-(2H15)Adamantanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-d15-1-ol [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: 245.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.1±6.0 kJ/mol
Flash Point: 101.1±10.9 °C
Index of Refraction: 1.581
Molar Refractivity: 43.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.90
ACD/KOC (pH 5.5): 451.57
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.90
ACD/KOC (pH 7.4): 451.57
Polar Surface Area: 20 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 131.2±3.0 cm3

Click to predict properties on the Chemicalize site






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