ChemSpider 2D Image | 1,1',1''-(Benzene-1,3,5-triyltri-2,1-ethynediyl)tris(3,5-diethynylbenzene) | C42H18

1,1',1''-(Benzene-1,3,5-triyltri-2,1-ethynediyl)tris(3,5-diethynylbenzene)

  • Molecular FormulaC42H18
  • Average mass522.592 Da
  • Monoisotopic mass522.140869 Da
  • ChemSpider ID57587644

More details:

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

1,1',1''-(Benzene-1,3,5-triyltri-2,1-ethynediyl)tris(3,5-diethynylbenzene) [ACD/IUPAC Name]
1,1',1''-(Benzène-1,3,5-triyltri-2,1-éthynediyl)tris(3,5-diéthynylbenzène) [French] [ACD/IUPAC Name]
1,1',1''-(Benzol-1,3,5-triyltri-2,1-ethindiyl)tris(3,5-diethinylbenzol) [German] [ACD/IUPAC Name]
Benzene, 1,3,5-tris[2-(3,5-diethynylphenyl)ethynyl]- [ACD/Index Name]
1-(2-{3,5-bis[2-(3,5-diethynylphenyl)ethynyl]phenyl}ethynyl)-3,5-diethynylbenzene
1,3,5-tris[2-(3,5-diethynylphenyl)ethynyl]benzene
196929-15-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 758.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 106.7±0.8 kJ/mol
Flash Point: 419.0±27.0 °C
Index of Refraction: 1.726
Molar Refractivity: 165.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.99
ACD/LogD (pH 5.5): 9.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2183402.25
ACD/LogD (pH 7.4): 9.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2183402.25
Polar Surface Area: 0 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 415.4±5.0 cm3

Click to predict properties on the Chemicalize site


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