ChemSpider 2D Image | 1,1'-[1,12-Dodecanediylbis(oxy)]bis[2-(1,3-butadiyn-1-yl)-4-(2-methyl-2-propanyl)benzene] | C40H50O2

1,1'-[1,12-Dodecanediylbis(oxy)]bis[2-(1,3-butadiyn-1-yl)-4-(2-methyl-2-propanyl)benzene]

  • Molecular FormulaC40H50O2
  • Average mass562.824 Da
  • Monoisotopic mass562.381104 Da
  • ChemSpider ID9679845

More details:

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

1,1'-[1,12-Dodecandiylbis(oxy)]bis[2-(1,3-butadiin-1-yl)-4-(2-methyl-2-propanyl)benzol] [German] [ACD/IUPAC Name]
1,1'-[1,12-Dodecanediylbis(oxy)]bis[2-(1,3-butadiyn-1-yl)-4-(2-methyl-2-propanyl)benzene] [ACD/IUPAC Name]
1,1'-[1,12-Dodécanediylbis(oxy)]bis[2-(1,3-butadiyn-1-yl)-4-(2-méthyl-2-propanyl)benzène] [French] [ACD/IUPAC Name]
Benzene, 1,1'-[1,12-dodecanediylbis(oxy)]bis[2-(1,3-butadiyn-1-yl)-4-(1,1-dimethylethyl)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 656.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 177.0±31.0 °C
Index of Refraction: 1.552
Molar Refractivity: 176.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 15.98
ACD/LogD (pH 5.5): 12.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 18 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 551.2±5.0 cm3

Click to predict properties on the Chemicalize site


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