ChemSpider 2D Image | 2,3-Dicyano-1,4-phenylene bis(4-methylbenzenesulfonate) | C22H16N2O6S2

2,3-Dicyano-1,4-phenylene bis(4-methylbenzenesulfonate)

  • Molecular FormulaC22H16N2O6S2
  • Average mass468.502 Da
  • Monoisotopic mass468.044983 Da
  • ChemSpider ID28560656

More details:

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

1,2-Benzenedicarbonitrile, 3,6-bis[[(4-methylphenyl)sulfonyl]oxy]- [ACD/Index Name]
2,3-Dicyan-1,4-phenylen-bis(4-methylbenzolsulfonat) [German] [ACD/IUPAC Name]
2,3-Dicyano-1,4-phenylene bis(4-methylbenzenesulfonate) [ACD/IUPAC Name]
Bis(4-méthylbenzènesulfonate) de 2,3-dicyano-1,4-phénylène [French] [ACD/IUPAC Name]
2,3-Dicyano-1,4-phenylene bis(4-methylbenzene-1-sulfonate)
3,6-bis(4'-methylphenylsulfonyloxy)phthalonitrile
3,6-bis(4-methylphenylsulfonyloxy)phthalonitrile
667938-12-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.2±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1122.64
ACD/KOC (pH 5.5): 5308.37
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1122.64
ACD/KOC (pH 7.4): 5308.37
Polar Surface Area: 151 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 310.6±5.0 cm3

Click to predict properties on the Chemicalize site


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