ChemSpider 2D Image | 1,1'-[1,16-Hexadecanediylbis(oxy)]bis[2-ethynyl-4-(2-methyl-2-propanyl)benzene] | C40H58O2

1,1'-[1,16-Hexadecanediylbis(oxy)]bis[2-ethynyl-4-(2-methyl-2-propanyl)benzene]

  • Molecular FormulaC40H58O2
  • Average mass570.887 Da
  • Monoisotopic mass570.443665 Da
  • ChemSpider ID9846126

More details:

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

1,1'-[1,16-Hexadecandiylbis(oxy)]bis[2-ethinyl-4-(2-methyl-2-propanyl)benzol] [German] [ACD/IUPAC Name]
1,1'-[1,16-Hexadecanediylbis(oxy)]bis[2-ethynyl-4-(2-methyl-2-propanyl)benzene] [ACD/IUPAC Name]
1,1'-[1,16-Hexadécanediylbis(oxy)]bis[2-éthynyl-4-(2-méthyl-2-propanyl)benzène] [French] [ACD/IUPAC Name]
Benzene, 1,1'-[1,16-hexadecanediylbis(oxy)]bis[4-(1,1-dimethylethyl)-2-ethynyl- [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: 653.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 169.0±31.0 °C
Index of Refraction: 1.529
Molar Refractivity: 180.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 14.69
ACD/LogD (pH 5.5): 12.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 18 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 41.6±5.0 dyne/cm
Molar Volume: 584.6±5.0 cm3

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