ChemSpider 2D Image | [3,6-Bis(2-methyl-2-propanyl)-1,8-diphenyl-3-(phenylethynyl)-4,5-octadiene-1,7-diyn-4-yl]benzene | C42H38

[3,6-Bis(2-methyl-2-propanyl)-1,8-diphenyl-3-(phenylethynyl)-4,5-octadiene-1,7-diyn-4-yl]benzene

  • Molecular FormulaC42H38
  • Average mass542.751 Da
  • Monoisotopic mass542.297363 Da
  • ChemSpider ID74073344

More details:

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

[3,6-Bis(2-methyl-2-propanyl)-1,8-diphenyl-3-(phenylethinyl)-4,5-octadien-1,7-diin-4-yl]benzol [German] [ACD/IUPAC Name]
[3,6-Bis(2-methyl-2-propanyl)-1,8-diphenyl-3-(phenylethynyl)-4,5-octadiene-1,7-diyn-4-yl]benzene [ACD/IUPAC Name]
[3,6-Bis(2-méthyl-2-propanyl)-1,8-diphényl-3-(phényléthynyl)-4,5-octadiène-1,7-diyn-4-yl]benzène [French] [ACD/IUPAC Name]
Benzene, [3,6-bis(1,1-dimethylethyl)-4,8-diphenyl-3-(2-phenylethynyl)-4,5-octadiene-1,7-diyn-1-yl]- [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: 697.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 98.4±0.8 kJ/mol
Flash Point: 383.4±25.6 °C
Index of Refraction: 1.624
Molar Refractivity: 177.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 15.53
ACD/LogD (pH 5.5): 12.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 503.6±5.0 cm3

Click to predict properties on the Chemicalize site


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