ChemSpider 2D Image | 1-[(1,1-~2~H_2_)Ethyl]-2-nitrobenzene | C8H7D2NO2

1-[(1,1-2H2)Ethyl]-2-nitrobenzene

  • Molecular FormulaC8H7D2NO2
  • Average mass153.175 Da
  • Monoisotopic mass153.075882 Da
  • ChemSpider ID8233266
  • Non-standard isotope - Non-standard isotope


More details:






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

1-[(1,1-2H2)Ethyl]-2-nitrobenzene [ACD/IUPAC Name]
1-[(1,1-2H2)Éthyl]-2-nitrobenzène [French] [ACD/IUPAC Name]
1-[(1,1-2H2)Ethyl]-2-nitrobenzol [German] [ACD/IUPAC Name]
Benzene, 1-(ethyl-1,1-d2)-2-nitro- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 232.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 86.9±11.5 °C
Index of Refraction: 1.544
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.24
ACD/KOC (pH 5.5): 803.09
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.24
ACD/KOC (pH 7.4): 803.09
Polar Surface Area: 46 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 134.1±3.0 cm3

Click to predict properties on the Chemicalize site






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