ChemSpider 2D Image | 5,7,9-Trinitro-3,11-dioxa-5,7,9-triazatrideca-1,12-diene-2,12-diol | C8H14N6O10

5,7,9-Trinitro-3,11-dioxa-5,7,9-triazatrideca-1,12-diene-2,12-diol

  • Molecular FormulaC8H14N6O10
  • Average mass354.231 Da
  • Monoisotopic mass354.077148 Da
  • ChemSpider ID95556949

More details:

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

3,11-Dioxa-5,7,9-triazatrideca-1,12-diene-2,12-diol, 5,7,9-trinitro- [ACD/Index Name]
5,7,9-Trinitro-3,11-dioxa-5,7,9-triazatrideca-1,12-dien-2,12-diol [German] [ACD/IUPAC Name]
5,7,9-Trinitro-3,11-dioxa-5,7,9-triazatrideca-1,12-diene-2,12-diol [ACD/IUPAC Name]
5,7,9-Trinitro-3,11-dioxa-5,7,9-triazatridéca-1,12-diène-2,12-diol [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 766.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.2±6.0 kJ/mol
Flash Point: 417.2±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 74.0±0.3 cm3
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.87
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.43
Polar Surface Area: 206 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 77.0±3.0 dyne/cm
Molar Volume: 218.2±3.0 cm3

Click to predict properties on the Chemicalize site


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