ChemSpider 2D Image | 1,1'-(1,4-Phenylenedi-2,1-ethynediyl)bis(3,5-dimethoxybenzene) | C26H22O4

1,1'-(1,4-Phenylenedi-2,1-ethynediyl)bis(3,5-dimethoxybenzene)

  • Molecular FormulaC26H22O4
  • Average mass398.451 Da
  • Monoisotopic mass398.151794 Da
  • ChemSpider ID24741592

More details:

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

1,1'-(1,4-Phenylendi-2,1-ethindiyl)bis(3,5-dimethoxybenzol) [German] [ACD/IUPAC Name]
1,1'-(1,4-Phenylenedi-2,1-ethynediyl)bis(3,5-dimethoxybenzene) [ACD/IUPAC Name]
1,1'-(1,4-Phénylènedi-2,1-éthynediyl)bis(3,5-diméthoxybenzène) [French] [ACD/IUPAC Name]
Benzene, 1,4-bis[2-(3,5-dimethoxyphenyl)ethynyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 164.1±36.9 °C
Index of Refraction: 1.625
Molar Refractivity: 116.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20519.43
ACD/KOC (pH 5.5): 42484.83
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20519.43
ACD/KOC (pH 7.4): 42484.83
Polar Surface Area: 37 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 328.7±5.0 cm3

Click to predict properties on the Chemicalize site


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