ChemSpider 2D Image | 1,1'-(1,3-Butadiyne-1,4-diyl)bis[6-(2-methyl-2-propanyl)-3-{4-[6-(2-methyl-2-propanyl)-1-azulenyl]-1,3-butadiyn-1-yl}azulene] | C68H58

1,1'-(1,3-Butadiyne-1,4-diyl)bis[6-(2-methyl-2-propanyl)-3-{4-[6-(2-methyl-2-propanyl)-1-azulenyl]-1,3-butadiyn-1-yl}azulene]

  • Molecular FormulaC68H58
  • Average mass875.188 Da
  • Monoisotopic mass874.453857 Da
  • ChemSpider ID9782332

More details:

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

1,1'-(1,3-Butadiin-1,4-diyl)bis[6-(2-methyl-2-propanyl)-3-{4-[6-(2-methyl-2-propanyl)-1-azulenyl]-1,3-butadiin-1-yl}azulen] [German] [ACD/IUPAC Name]
1,1'-(1,3-Butadiyne-1,4-diyl)bis[6-(2-methyl-2-propanyl)-3-{4-[6-(2-methyl-2-propanyl)-1-azulenyl]-1,3-butadiyn-1-yl}azulene] [ACD/IUPAC Name]
1,1'-(1,3-Butadiyne-1,4-diyl)bis[6-(2-méthyl-2-propanyl)-3-{4-[6-(2-méthyl-2-propanyl)-1-azulényl]-1,3-butadiyn-1-yl}azulène] [French] [ACD/IUPAC Name]
Azulene, 1,1'-(1,3-butadiyne-1,4-diyl)bis[6-(1,1-dimethylethyl)-3-[4-[6-(1,1-dimethylethyl)-1-azulenyl]-1,3-butadiyn-1-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 973.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 137.3±0.8 kJ/mol
Flash Point: 560.5±28.4 °C
Index of Refraction: 1.700
Molar Refractivity: 288.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 26.46
ACD/LogD (pH 5.5): 21.09
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.09
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 114.5±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 747.2±5.0 cm3

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