ChemSpider 2D Image | [(1E,3E)-4-Nitro-1,3-butadien-1-yl]benzene | C10H9NO2

[(1E,3E)-4-Nitro-1,3-butadien-1-yl]benzene

  • Molecular FormulaC10H9NO2
  • Average mass175.184 Da
  • Monoisotopic mass175.063324 Da
  • ChemSpider ID62960564

  • Double-bond stereo - Double-bond stereo

More details:

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

[(1E,3E)-4-Nitro-1,3-butadien-1-yl]benzene [ACD/IUPAC Name]
[(1E,3E)-4-Nitro-1,3-butadién-1-yl]benzène [French] [ACD/IUPAC Name]
[(1E,3E)-4-Nitro-1,3-butadien-1-yl]benzol [German] [ACD/IUPAC Name]
Benzene, [(1E,3E)-4-nitro-1,3-butadien-1-yl]- [ACD/Index Name]
4701-10-4 [RN]
4-Nitrobuta-1,3-dienylbenzene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 315.8±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 150.6±14.9 °C
Index of Refraction: 1.606
Molar Refractivity: 52.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.82
ACD/KOC (pH 5.5): 432.73
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.82
ACD/KOC (pH 7.4): 432.73
Polar Surface Area: 46 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 153.3±3.0 cm3

Click to predict properties on the Chemicalize site


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