ChemSpider 2D Image | 2,2'-{Methylenebis[2-(2-propyn-1-yloxy)-5-(2,4,4-trimethyl-2-pentanyl)-3,1-phenylene]}bis(2H-benzotriazole) | C47H54N6O2

2,2'-{Methylenebis[2-(2-propyn-1-yloxy)-5-(2,4,4-trimethyl-2-pentanyl)-3,1-phenylene]}bis(2H-benzotriazole)

  • Molecular FormulaC47H54N6O2
  • Average mass734.971 Da
  • Monoisotopic mass734.430847 Da
  • ChemSpider ID30656564

More details:

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

2,2'-{Methylenbis[2-(2-propin-1-yloxy)-5-(2,4,4-trimethyl-2-pentanyl)-3,1-phenylen]}bis(2H-benzotriazol) [German] [ACD/IUPAC Name]
2,2'-{Methylenebis[2-(2-propyn-1-yloxy)-5-(2,4,4-trimethyl-2-pentanyl)-3,1-phenylene]}bis(2H-benzotriazole) [ACD/IUPAC Name]
2,2'-{Méthylènebis[2-(2-propyn-1-yloxy)-5-(2,4,4-triméthyl-2-pentanyl)-3,1-phénylène]}bis(2H-benzotriazole) [French] [ACD/IUPAC Name]
2H-1,2,3-Benzotriazole, 2,2'-[methylenebis[2-(2-propyn-1-yloxy)-5-(1,1,3,3-tetramethylbutyl)-3,1-phenylene]]bis- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 822.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.4±37.1 °C
Index of Refraction: 1.581
Molar Refractivity: 226.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 14.73
ACD/LogD (pH 5.5): 12.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 80 Å2
Polarizability: 89.9±0.5 10-24cm3
Surface Tension: 38.5±7.0 dyne/cm
Molar Volume: 680.5±7.0 cm3

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