ChemSpider 2D Image | (1r,3s,5R,7S)-1-Ethyl-3-methyladamantane | C13H22

(1r,3s,5R,7S)-1-Ethyl-3-methyladamantane

  • Molecular FormulaC13H22
  • Average mass178.314 Da
  • Monoisotopic mass178.172150 Da
  • ChemSpider ID29367653

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1r,3s,5R,7S)-1-Ethyl-3-methyladamantan [German] [ACD/IUPAC Name]
(1r,3s,5R,7S)-1-Ethyl-3-methyladamantane [ACD/IUPAC Name]
(1r,3s,5R,7S)-1-Éthyl-3-méthyladamantane [French] [ACD/IUPAC Name]
1687-34-9 [RN]
Tricyclo[3.3.1.13,7]decane, 1-ethyl-3-methyl-, (5R,7S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 220.9±7.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 43.9±0.8 kJ/mol
Flash Point: 76.4±11.7 °C
Index of Refraction: 1.513
Molar Refractivity: 56.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4573.45
ACD/KOC (pH 5.5): 14507.61
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4573.45
ACD/KOC (pH 7.4): 14507.61
Polar Surface Area: 0 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 186.5±3.0 cm3

Click to predict properties on the Chemicalize site


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