ChemSpider 2D Image | (1R,2r,3S,5r,7r)-2-Adamantanecarboxylic acid | C11H16O2

(1R,2r,3S,5r,7r)-2-Adamantanecarboxylic acid

  • Molecular FormulaC11H16O2
  • Average mass180.243 Da
  • Monoisotopic mass180.115036 Da
  • ChemSpider ID114934799

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2r,3S,5r,7r)-2-Adamantancarbonsäure [German] [ACD/IUPAC Name]
(1R,2r,3S,5r,7r)-2-Adamantanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2r,3S,5r,7r)-2-adamantanecarboxylique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-2-carboxylic acid [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: 297.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.1±6.0 kJ/mol
Flash Point: 139.0±13.1 °C
Index of Refraction: 1.550
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 11.94
ACD/KOC (pH 5.5): 118.48
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.88
Polar Surface Area: 37 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 151.7±3.0 cm3

Click to predict properties on the Chemicalize site


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