ChemSpider 2D Image | Hexakis(phenylethynyl)benzene | C54H30

Hexakis(phenylethynyl)benzene

  • Molecular FormulaC54H30
  • Average mass678.816 Da
  • Monoisotopic mass678.234741 Da
  • ChemSpider ID11479105

More details:

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

Benzene, 1,2,3,4,5,6-hexakis(2-phenylethynyl)- [ACD/Index Name]
Hexakis(phenylethinyl)benzol [German] [ACD/IUPAC Name]
Hexakis(phenylethynyl)benzene [ACD/IUPAC Name]
Hexakis(phényléthynyl)benzène [French] [ACD/IUPAC Name]
1,1',1'',1''',1'''',1'''''-[Benzene-1,2,3,4,5,6-hexaylhexa(ethyne-2,1-diyl)]hexabenzene
110846-75-8 [RN]
Benzene, hexakis(phenylethynyl)-
HEXAKIS(2-PHENYLETHYNYL)BENZENE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 890.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 125.0±0.8 kJ/mol
Flash Point: 503.4±28.4 °C
Index of Refraction: 1.753
Molar Refractivity: 218.6±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 17.59
ACD/LogD (pH 5.5): 14.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 86.7±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 534.8±5.0 cm3

Click to predict properties on the Chemicalize site


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