Found 22 results

Search term: MF = 'C_{6}H_{11}N_{3}O_{6}'
ChemSpider 2D Image | 1,1,1-Trinitrohexane | C6H11N3O6

1,1,1-Trinitrohexane

  • Molecular FormulaC6H11N3O6
  • Average mass221.168 Da
  • Monoisotopic mass221.064789 Da
  • ChemSpider ID57490720

More details:

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

1,1,1-Trinitrohexan [German] [ACD/IUPAC Name]
1,1,1-Trinitrohexane [ACD/IUPAC Name]
1,1,1-Trinitrohexane [French] [ACD/IUPAC Name]
Hexane, 1,1,1-trinitro- [ACD/Index Name]
16596-50-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 257.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.5±3.0 kJ/mol
Flash Point: 101.8±14.6 °C
Index of Refraction: 1.489
Molar Refractivity: 47.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 575.30
ACD/KOC (pH 5.5): 3289.53
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 575.30
ACD/KOC (pH 7.4): 3289.53
Polar Surface Area: 137 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 166.0±3.0 cm3

Click to predict properties on the Chemicalize site


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