ChemSpider 2D Image | MFCD27996120 | C13H12

MFCD27996120

  • Molecular FormulaC13H12
  • Average mass168.234 Da
  • Monoisotopic mass168.093903 Da
  • ChemSpider ID35519547

More details:

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

1-(4-Ethinylphenyl)bicyclo[1.1.1]pentan [German] [ACD/IUPAC Name]
1-(4-Ethynylphenyl)bicyclo[1.1.1]pentane [ACD/IUPAC Name]
1-(4-Éthynylphényl)bicyclo[1.1.1]pentane [French] [ACD/IUPAC Name]
1823343-65-2 [RN]
Bicyclo[1.1.1]pentane, 1-(4-ethynylphenyl)- [ACD/Index Name]
MFCD27996120

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

Density: 1.1±0.1 g/cm3
Boiling Point: 246.0±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 46.4±0.8 kJ/mol
Flash Point: 92.5±15.6 °C
Index of Refraction: 1.607
Molar Refractivity: 52.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 251.16
ACD/KOC (pH 5.5): 1817.58
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 251.16
ACD/KOC (pH 7.4): 1817.58
Polar Surface Area: 0 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 153.0±5.0 cm3

Click to predict properties on the Chemicalize site


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