ChemSpider 2D Image | 1,3-Dimethyl-5-[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]-2,4,6-trinitrobenzene | C12H6D9N3O6

1,3-Dimethyl-5-[2-(2H3)methyl(2H6)-2-propanyl]-2,4,6-trinitrobenzene

  • Molecular FormulaC12H6D9N3O6
  • Average mass306.319 Da
  • Monoisotopic mass306.152588 Da
  • ChemSpider ID107435029

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Dimethyl-5-[2-(2H3)methyl(2H6)-2-propanyl]-2,4,6-trinitrobenzene [ACD/IUPAC Name]
1,3-Diméthyl-5-[2-(2H3)méthyl(2H6)-2-propanyl]-2,4,6-trinitrobenzène [French] [ACD/IUPAC Name]
1,3-Dimethyl-5-[2-(2H3)methyl(2H6)-2-propanyl]-2,4,6-trinitrobenzol [German] [ACD/IUPAC Name]
Benzene, 1-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-3,5-dimethyl-2,4,6-trinitro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 392.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 174.2±20.7 °C
Index of Refraction: 1.573
Molar Refractivity: 73.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 803.07
ACD/KOC (pH 5.5): 4176.59
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 803.07
ACD/KOC (pH 7.4): 4176.59
Polar Surface Area: 137 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

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