ChemSpider 2D Image | Benzotriyne | C6

Benzotriyne

  • Molecular FormulaC6
  • Average mass72.064 Da
  • Monoisotopic mass72.000000 Da
  • ChemSpider ID25934244

More details:

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

1,3,5-Cyclohexatriin [German] [ACD/IUPAC Name]
1,3,5-Cyclohexatriyne [ACD/Index Name] [ACD/IUPAC Name]
1,3,5-Cyclohexatriyne [French] [ACD/IUPAC Name]
21894-87-1 [RN]
Benzotriyne
cyclohexatriyne
Benzyne [Wiki]
Cyclohexa-1,3,5-triyne

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

Density: 1.2±0.1 g/cm3
Boiling Point: 93.4±23.0 °C at 760 mmHg
Vapour Pressure: 56.3±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.9±0.8 kJ/mol
Flash Point: -7.4±16.7 °C
Index of Refraction: 1.671
Molar Refractivity: 21.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.51
ACD/KOC (pH 5.5): 663.98
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.51
ACD/KOC (pH 7.4): 663.98
Polar Surface Area: 0 Å2
Polarizability: 8.6±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 58.3±5.0 cm3

Click to predict properties on the Chemicalize site


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