ChemSpider 2D Image | 1,5-Cycloheptadien-3-yne | C7H6

1,5-Cycloheptadien-3-yne

  • Molecular FormulaC7H6
  • Average mass90.122 Da
  • Monoisotopic mass90.046951 Da
  • ChemSpider ID57502016

More details:

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

1,5-Cycloheptadien-3-in [German] [ACD/IUPAC Name]
1,5-Cycloheptadien-3-yne [ACD/Index Name] [ACD/IUPAC Name]
1,5-Cycloheptadién-3-yne [French] [ACD/IUPAC Name]
62187-31-9 [RN]
Cyclohepta-1,5-dien-3-yne

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

Density: 0.9±0.1 g/cm3
Boiling Point: 136.2±30.0 °C at 760 mmHg
Vapour Pressure: 9.2±0.1 mmHg at 25°C
Enthalpy of Vaporization: 35.8±0.8 kJ/mol
Flash Point: 21.0±18.7 °C
Index of Refraction: 1.548
Molar Refractivity: 30.2±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.38
ACD/KOC (pH 5.5): 352.30
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.38
ACD/KOC (pH 7.4): 352.30
Polar Surface Area: 0 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 36.1±5.0 dyne/cm
Molar Volume: 95.2±5.0 cm3

Click to predict properties on the Chemicalize site


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