ChemSpider 2D Image | 1-Nitro(1,1,2,2-~2~H_4_)propane | C3H3D4NO2

1-Nitro(1,1,2,2-2H4)propane

  • Molecular FormulaC3H3D4NO2
  • Average mass93.118 Da
  • Monoisotopic mass93.072784 Da
  • ChemSpider ID60597122
  • Non-standard isotope - Non-standard isotope


More details:






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

1-Nitro(1,1,2,2-2H4)propan [German] [ACD/IUPAC Name]
1-Nitro(1,1,2,2-2H4)propane [ACD/IUPAC Name]
1-Nitro(1,1,2,2-2H4)propane [French] [ACD/IUPAC Name]
Propane-1,1,2,2-d4, 1-nitro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 131.7±3.0 °C at 760 mmHg
Vapour Pressure: 11.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.4±3.0 kJ/mol
Flash Point: 33.9±0.0 °C
Index of Refraction: 1.399
Molar Refractivity: 22.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.83
ACD/KOC (pH 5.5): 73.25
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.69
ACD/KOC (pH 7.4): 69.66
Polar Surface Area: 46 Å2
Polarizability: 8.7±0.5 10-24cm3
Surface Tension: 28.6±3.0 dyne/cm
Molar Volume: 90.8±3.0 cm3

Click to predict properties on the Chemicalize site






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