ChemSpider 2D Image | 1,1'-Bi(1,5-cyclohexadien-1-yl)-3,3',4,4'-tetrone | C12H6O4

1,1'-Bi(1,5-cyclohexadien-1-yl)-3,3',4,4'-tetrone

  • Molecular FormulaC12H6O4
  • Average mass214.174 Da
  • Monoisotopic mass214.026611 Da
  • ChemSpider ID32681511

More details:

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

[Bi-1,5-cyclohexadien-1-yl]-3,3',4,4'-tetrone [ACD/Index Name]
1,1'-Bi(1,5-cyclohexadien-1-yl)-3,3',4,4'-tetron [German] [ACD/IUPAC Name]
1,1'-Bi(1,5-cyclohexadien-1-yl)-3,3',4,4'-tetrone [ACD/IUPAC Name]
1,1'-Bi(1,5-cyclohexadién-1-yl)-3,3',4,4'-tétrone [French] [ACD/IUPAC Name]
[1,1'-bi(cyclohexane)]-1,1',5,5'-tetraene-3,3',4,4'-tetrone
120811-93-0 [RN]
MFCD28336634

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

Density: 1.5±0.1 g/cm3
Boiling Point: 308.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 129.4±23.1 °C
Index of Refraction: 1.660
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.37
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.37
Polar Surface Area: 68 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 141.7±3.0 cm3

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