ChemSpider 2D Image | 1,4-Bis[(~2~H_1_)methyl]-2-nitro(3,6-~2~H_2_)benzene | C8H5D4NO2

1,4-Bis[(2H1)methyl]-2-nitro(3,6-2H2)benzene

  • Molecular FormulaC8H5D4NO2
  • Average mass155.187 Da
  • Monoisotopic mass155.088440 Da
  • ChemSpider ID8416513

  • Non-standard isotope - Non-standard isotope

More details:

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

1,4-Bis[(2H1)methyl]-2-nitro(3,6-2H2)benzene [ACD/IUPAC Name]
1,4-Bis[(2H1)méthyl]-2-nitro(3,6-2H2)benzène [French] [ACD/IUPAC Name]
1,4-Bis[(2H1)methyl]-2-nitro(3,6-2H2)benzol [German] [ACD/IUPAC Name]
Benzene-1,4-d2, 2,5-di(methyl-d)-3-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: 240.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 100.0±11.5 °C
Index of Refraction: 1.547
Molar Refractivity: 42.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.21
ACD/KOC (pH 5.5): 974.99
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.21
ACD/KOC (pH 7.4): 974.99
Polar Surface Area: 46 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 133.8±3.0 cm3

Click to predict properties on the Chemicalize site


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