ChemSpider 2D Image | 4-Ethynyl-4'-(3-[(4'-ethynyl-4-biphenylyl)oxy]-2,2-bis{[(4'-ethynyl-4-biphenylyl)oxy]methyl}propoxy)biphenyl | C61H44O4

4-Ethynyl-4'-(3-[(4'-ethynyl-4-biphenylyl)oxy]-2,2-bis{[(4'-ethynyl-4-biphenylyl)oxy]methyl}propoxy)biphenyl

  • Molecular FormulaC61H44O4
  • Average mass841.000 Da
  • Monoisotopic mass840.323975 Da
  • ChemSpider ID30661271

More details:

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

4-Ethinyl-4'-(3-[(4'-ethinyl-4-biphenylyl)oxy]-2,2-bis{[(4'-ethinyl-4-biphenylyl)oxy]methyl}propoxy)biphenyl [German] [ACD/IUPAC Name]
4-Ethynyl-4'-(3-[(4'-ethynyl-4-biphenylyl)oxy]-2,2-bis{[(4'-ethynyl-4-biphenylyl)oxy]methyl}propoxy)biphenyl [ACD/IUPAC Name]
4-Éthynyl-4'-(3-[(4'-éthynyl-4-biphénylyl)oxy]-2,2-bis{[(4'-éthynyl-4-biphénylyl)oxy]méthyl}propoxy)biphényle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 932.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 59.5±41.1 °C
Index of Refraction: 1.696
Molar Refractivity: 258.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 15.08
ACD/LogD (pH 5.5): 13.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 37 Å2
Polarizability: 102.3±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 670.7±5.0 cm3

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