ChemSpider 2D Image | Trinitroethylorthocarbonate | C9H8N12O28

Trinitroethylorthocarbonate

  • Molecular FormulaC9H8N12O28
  • Average mass732.223 Da
  • Monoisotopic mass731.957092 Da
  • ChemSpider ID123272

More details:






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

1,1,1-Trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethan [German] [ACD/IUPAC Name]
1,1,1-Trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethane [ACD/IUPAC Name]
1,1,1-Trinitro-2-[tris(2,2,2-trinitroéthoxy)méthoxy]éthane [French] [ACD/IUPAC Name]
Ethane, 2,2',2'',2'''-[methanetetrayltetrakis(oxy)]tetrakis[1,1,1-trinitro- [ACD/Index Name]
TNEOC
Trinitroethylorthocarbonate [Wiki]
14548-58-4 [RN]
ETHANE,1,1',1'',1'''-[METHANETETRAYLTETRAKIS(OXY)]TETRAKIS[2,2,2-TRINITRO-
tetra(trinitroethyl)orthocarbonate

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

Density: 2.1±0.1 g/cm3
Boiling Point: 674.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 248.4±33.5 °C
Index of Refraction: 1.606
Molar Refractivity: 122.8±0.3 cm3
#H bond acceptors: 40
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 41.14
ACD/LogD (pH 5.5): 26.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 26.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 587 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 107.6±3.0 dyne/cm
Molar Volume: 356.1±3.0 cm3

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