ChemSpider 2D Image | 9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl bis(4-methylbenzenesulfonate) | C28H20O8S2

9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl bis(4-methylbenzenesulfonate)

  • Molecular FormulaC28H20O8S2
  • Average mass548.584 Da
  • Monoisotopic mass548.059937 Da
  • ChemSpider ID340346

More details:

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

9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]- [ACD/Index Name]
9,10-Dioxo-9,10-dihydroanthracen-1,4-diyl-bis(4-methylbenzolsulfonat) [German] [ACD/IUPAC Name]
9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl bis(4-methylbenzenesulfonate) [ACD/IUPAC Name]
Bis(4-méthylbenzènesulfonate) de 9,10-dioxo-9,10-dihydroanthracène-1,4-diyle [French] [ACD/IUPAC Name]
1,4-Bis-(p-toluenesulfonyloxy)-9,10-anthracenedione
4-[(4-METHYLBENZENESULFONYL)OXY]-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL 4-METHYLBENZENE-1-SULFONATE
4-[(4-METHYLBENZENESULFONYL)OXY]-9,10-DIOXOANTHRACEN-1-YL 4-METHYLBENZENESULFONATE
96701-06-3 [RN]

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

NCI60_025979 [DBID]
NSC673345 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 776.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.2±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6712.31
ACD/KOC (pH 5.5): 19092.65
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6712.31
ACD/KOC (pH 7.4): 19092.65
Polar Surface Area: 138 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 378.9±3.0 cm3

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