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Search term: QBJAMGWZOKRIAB (Found by InChIKey (skeleton match))

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

5-Methylene-6-heptene-1,3-diyne

  • Molecular FormulaC8H6
  • Average mass102.133 Da
  • Monoisotopic mass102.046951 Da
  • ChemSpider ID24771112

More details:






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

5-Methylen-6-hepten-1,3-diin [German] [ACD/IUPAC Name]
5-Methylene-6-heptene-1,3-diyne [ACD/IUPAC Name]
5-Méthylène-6-heptène-1,3-diyne [French] [ACD/IUPAC Name]
5-methylidenehept-6-ene-1,3-diyne
6-Heptene-1,3-diyne, 5-methylene- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 143.1±13.0 °C at 760 mmHg
Vapour Pressure: 6.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 36.5±0.8 kJ/mol
Flash Point: 26.6±14.0 °C
Index of Refraction: 1.494
Molar Refractivity: 34.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.60
ACD/KOC (pH 5.5): 680.00
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.60
ACD/KOC (pH 7.4): 680.00
Polar Surface Area: 0 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 117.6±3.0 cm3

Click to predict properties on the Chemicalize site






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