ChemSpider 2D Image | (6E,6'E)-6,6'-{(2,2-Dimethyl-1,3-propanediyl)bis[imino(E)methylylidene]}bis(2,4-dibromo-2,4-cyclohexadien-1-one) | C19H18Br4N2O2

(6E,6'E)-6,6'-{(2,2-Dimethyl-1,3-propanediyl)bis[imino(E)methylylidene]}bis(2,4-dibromo-2,4-cyclohexadien-1-one)

  • Molecular FormulaC19H18Br4N2O2
  • Average mass625.974 Da
  • Monoisotopic mass621.810120 Da
  • ChemSpider ID30657441

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E,6'E)-6,6'-{(2,2-Dimethyl-1,3-propandiyl)bis[imino(E)methylyliden]}bis(2,4-dibrom-2,4-cyclohexadien-1-on) [German] [ACD/IUPAC Name]
(6E,6'E)-6,6'-{(2,2-Dimethyl-1,3-propanediyl)bis[imino(E)methylylidene]}bis(2,4-dibromo-2,4-cyclohexadien-1-one) [ACD/IUPAC Name]
(6E,6'E)-6,6'-{(2,2-Diméthyl-1,3-propanediyl)bis[imino(E)méthylylidène]}bis(2,4-dibromo-2,4-cyclohexadién-1-one) [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 6,6'-[(2,2-dimethyl-1,3-propanediyl)bis[imino(E)methylidyne]]bis[2,4-dibromo-, (6E,6'E)- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 502.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.6±30.1 °C
Index of Refraction: 1.775
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 605.89
ACD/KOC (pH 5.5): 3404.39
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 611.73
ACD/KOC (pH 7.4): 3437.23
Polar Surface Area: 58 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 82.9±3.0 dyne/cm
Molar Volume: 301.6±3.0 cm3

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