ChemSpider 2D Image | 1,3,5-Cyclooctatrien-7-yne | C8H6

1,3,5-Cyclooctatrien-7-yne

  • Molecular FormulaC8H6
  • Average mass102.133 Da
  • Monoisotopic mass102.046951 Da
  • ChemSpider ID57565675
  • Double-bond stereo - Double-bond stereo


More details:






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

1,3,5-Cyclooctatrien-7-in [German] [ACD/IUPAC Name]
1,3,5-Cyclooctatrien-7-yne [ACD/Index Name] [ACD/IUPAC Name]
1,3,5-Cyclooctatrién-7-yne [French] [ACD/IUPAC Name]
4514-69-6 [RN]
Cycloocta-1,3,5-trien-7-yne

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 180.9±7.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 40.0±0.8 kJ/mol
Flash Point: 49.0±12.3 °C
Index of Refraction: 1.576
Molar Refractivity: 34.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.16
ACD/KOC (pH 5.5): 622.09
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.16
ACD/KOC (pH 7.4): 622.09
Polar Surface Area: 0 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 37.9±5.0 dyne/cm
Molar Volume: 105.2±5.0 cm3

Click to predict properties on the Chemicalize site






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