ChemSpider 2D Image | (1R,5R)-3-Methyl-1-adamantanecarboxylic acid | C12H18O2

(1R,5R)-3-Methyl-1-adamantanecarboxylic acid

  • Molecular FormulaC12H18O2
  • Average mass194.270 Da
  • Monoisotopic mass194.130676 Da
  • ChemSpider ID110541729

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,5R)-3-Methyl-1-adamantancarbonsäure [German] [ACD/IUPAC Name]
(1R,5R)-3-Methyl-1-adamantanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,5R)-3-méthyl-1-adamantanecarboxylique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-methyl-, (1R,5R)- [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: 314.0±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.0±6.0 kJ/mol
Flash Point: 147.9±13.7 °C
Index of Refraction: 1.569
Molar Refractivity: 52.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 32.92
ACD/KOC (pH 5.5): 265.15
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.36
Polar Surface Area: 37 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 161.2±3.0 cm3

Click to predict properties on the Chemicalize site


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