ChemSpider 2D Image | octa-5,7-diene-1,3-diyne | C8H6

octa-5,7-diene-1,3-diyne

  • Molecular FormulaC8H6
  • Average mass102.133 Da
  • Monoisotopic mass102.046951 Da
  • ChemSpider ID24771111
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-1,3-Octadien-5,7-diin [German] [ACD/IUPAC Name]
(3E)-1,3-Octadiene-5,7-diyne [ACD/IUPAC Name]
(3E)-1,3-Octadiène-5,7-diyne [French] [ACD/IUPAC Name]
1,3-Octadiene-5,7-diyne, (3E)- [ACD/Index Name]
octa-5,7-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: 149.1±13.0 °C at 760 mmHg
Vapour Pressure: 5.2±0.1 mmHg at 25°C
Enthalpy of Vaporization: 37.0±0.8 kJ/mol
Flash Point: 30.3±14.0 °C
Index of Refraction: 1.509
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.93
ACD/KOC (pH 5.5): 727.78
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.93
ACD/KOC (pH 7.4): 727.78
Polar Surface Area: 0 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 116.4±3.0 cm3

Click to predict properties on the Chemicalize site






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