ChemSpider 2D Image | (1E,6E)-1,7-Dimethoxy-4,4-dinitro-1,6-heptadiene-1,7-diol | C9H14N2O8

(1E,6E)-1,7-Dimethoxy-4,4-dinitro-1,6-heptadiene-1,7-diol

  • Molecular FormulaC9H14N2O8
  • Average mass278.216 Da
  • Monoisotopic mass278.075012 Da
  • ChemSpider ID95680444

More details:

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

(1E,6E)-1,7-Dimethoxy-4,4-dinitro-1,6-heptadien-1,7-diol [German] [ACD/IUPAC Name]
(1E,6E)-1,7-Dimethoxy-4,4-dinitro-1,6-heptadiene-1,7-diol [ACD/IUPAC Name]
(1E,6E)-1,7-Diméthoxy-4,4-dinitro-1,6-heptadiène-1,7-diol [French] [ACD/IUPAC Name]
1,6-Heptadiene-1,7-diol, 1,7-dimethoxy-4,4-dinitro-, (1E,6E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 298.9±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.62
ACD/KOC (pH 5.5): 412.33
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.53
ACD/KOC (pH 7.4): 398.16
Polar Surface Area: 151 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 197.3±3.0 cm3

Click to predict properties on the Chemicalize site


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