ChemSpider 2D Image | (1s,3s,5s)-1,3,5-Trimethyladamantane | C13H22

(1s,3s,5s)-1,3,5-Trimethyladamantane

  • Molecular FormulaC13H22
  • Average mass178.314 Da
  • Monoisotopic mass178.172150 Da
  • ChemSpider ID29367643

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1s,3s,5s)-1,3,5-Trimethyladamantan [German] [ACD/IUPAC Name]
(1s,3s,5s)-1,3,5-Trimethyladamantane [ACD/IUPAC Name]
(1s,3s,5s)-1,3,5-Triméthyladamantane [French] [ACD/IUPAC Name]
707-35-7 [RN]
Tricyclo[3.3.1.13,7]decane, 1,3,5-trimethyl- [ACD/Index Name]
[707-35-7] [RN]
MFCD00216219 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 207.9±7.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 42.6±0.8 kJ/mol
Flash Point: 69.9±11.7 °C
Index of Refraction: 1.522
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4691.55
ACD/KOC (pH 5.5): 14774.77
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4691.55
ACD/KOC (pH 7.4): 14774.77
Polar Surface Area: 0 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 183.7±3.0 cm3

Click to predict properties on the Chemicalize site


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