ChemSpider 2D Image | (3Z,5Z)-3,5-Octadiene-1,7-diyne | C8H6

(3Z,5Z)-3,5-Octadiene-1,7-diyne

  • Molecular FormulaC8H6
  • Average mass102.133 Da
  • Monoisotopic mass102.046951 Da
  • ChemSpider ID57452847
  • Double-bond stereo - Double-bond stereo


More details:






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

(3Z,5Z)-3,5-Octadien-1,7-diin [German] [ACD/IUPAC Name]
(3Z,5Z)-3,5-Octadiene-1,7-diyne [ACD/IUPAC Name]
(3Z,5Z)-3,5-Octadiène-1,7-diyne [French] [ACD/IUPAC Name]
3,5-Octadiene-1,7-diyne, (3Z,5Z)- [ACD/Index Name]
(3Z,5Z)-OCTA-3,5-DIEN-1,7-DIYNE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 116.2±23.0 °C at 760 mmHg
Vapour Pressure: 21.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 34.0±0.8 kJ/mol
Flash Point: 10.3±16.7 °C
Index of Refraction: 1.517
Molar Refractivity: 34.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.51
ACD/KOC (pH 5.5): 333.54
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.51
ACD/KOC (pH 7.4): 333.54
Polar Surface Area: 0 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 115.3±3.0 cm3

Click to predict properties on the Chemicalize site






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