ChemSpider 2D Image | Trinitroethylorthoformate | C7H7N9O21

Trinitroethylorthoformate

  • Molecular FormulaC7H7N9O21
  • Average mass553.178 Da
  • Monoisotopic mass552.975647 Da
  • ChemSpider ID123273

More details:






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

2-[Bis(2,2,2-trinitroethoxy)methoxy]-1,1,1-trinitroethan [German] [ACD/IUPAC Name]
2-[Bis(2,2,2-trinitroethoxy)methoxy]-1,1,1-trinitroethane [ACD/IUPAC Name]
2-[Bis(2,2,2-trinitroéthoxy)méthoxy]-1,1,1-trinitroéthane [French] [ACD/IUPAC Name]
Ethane, 2,2',2''-[methylidynetris(oxy)]tris[1,1,1-trinitro- [ACD/Index Name]
TNEOF
Trinitroethylorthoformate [Wiki]
Tris(2,2,2-trinitroethyl)orthoformate
14548-59-5 [RN]
ETHANE,1,1',1''-[METHYLIDYNETRIS(OXY)]TRIS[2,2,2-TRINITRO-

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

Density: 2.0±0.1 g/cm3
Boiling Point: 556.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 219.9±32.1 °C
Index of Refraction: 1.588
Molar Refractivity: 93.8±0.3 cm3
#H bond acceptors: 30
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 25.78
ACD/LogD (pH 5.5): 16.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 440 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 99.0±3.0 dyne/cm
Molar Volume: 278.7±3.0 cm3

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