ChemSpider 2D Image | 3-p-Tolyl-adamantane-1-carboxylic acid | C18H22O2

3-p-Tolyl-adamantane-1-carboxylic acid

  • Molecular FormulaC18H22O2
  • Average mass270.366 Da
  • Monoisotopic mass270.161987 Da
  • ChemSpider ID29367629

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1s,3r,5R,7S)-3-(4-Methylphenyl)-1-adamantancarbonsäure [German] [ACD/IUPAC Name]
(1s,3r,5R,7S)-3-(4-Methylphenyl)-1-adamantanecarboxylic acid [ACD/IUPAC Name]
3-p-Tolyl-adamantane-1-carboxylic acid
56531-69-2 [RN]
Acide (1s,3r,5R,7S)-3-(4-méthylphényl)-1-adamantanecarboxylique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-(4-methylphenyl)-, (5R,7S)- [ACD/Index Name]
[56531-69-2] [RN]
1-(p-Tolyl)-3-adamantanecarboxylic acid
1-(p-tolyl)-3-adamantanecarboxylicaci
3-(4-methylphenyl)adamantane-1-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 424.3±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 197.4±17.6 °C
Index of Refraction: 1.615
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 232.22
ACD/KOC (pH 5.5): 1006.50
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 3.71
ACD/KOC (pH 7.4): 16.07
Polar Surface Area: 37 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 221.7±3.0 cm3

Click to predict properties on the Chemicalize site


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