ChemSpider 2D Image | 5,6-Octadiene-1,3-diyne | C8H6

5,6-Octadiene-1,3-diyne

  • Molecular FormulaC8H6
  • Average mass102.133 Da
  • Monoisotopic mass102.046951 Da
  • ChemSpider ID24771110

More details:






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

5,6-Octadien-1,3-diin [German] [ACD/IUPAC Name]
5,6-Octadiene-1,3-diyne [ACD/Index Name] [ACD/IUPAC Name]
5,6-Octadiène-1,3-diyne [French] [ACD/IUPAC Name]
octa-5,6-diene-1,3-diyne

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

Density: 0.9±0.1 g/cm3
Boiling Point: 149.9±13.0 °C at 760 mmHg
Vapour Pressure: 5.0±0.1 mmHg at 25°C
Enthalpy of Vaporization: 37.1±0.8 kJ/mol
Flash Point: 30.8±14.0 °C
Index of Refraction: 1.495
Molar Refractivity: 35.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.12
ACD/KOC (pH 5.5): 691.61
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.12
ACD/KOC (pH 7.4): 691.61
Polar Surface Area: 0 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 19.9±3.0 dyne/cm
Molar Volume: 119.9±3.0 cm3

Click to predict properties on the Chemicalize site






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