ChemSpider 2D Image | 11,23-Dimethyl-4,6,16,18-tetranitro-2,8,14,20-tetraoxapentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene | C26H16N4O12

11,23-Dimethyl-4,6,16,18-tetranitro-2,8,14,20-tetraoxapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene

  • Molecular FormulaC26H16N4O12
  • Average mass576.425 Da
  • Monoisotopic mass576.076477 Da
  • ChemSpider ID10573058

More details:

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

11,23-Dimethyl-4,6,16,18-tetranitro-2,8,14,20-tetraoxapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen [German] [ACD/IUPAC Name]
11,23-Dimethyl-4,6,16,18-tetranitro-2,8,14,20-tetraoxapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene [ACD/IUPAC Name]
11,23-Diméthyl-4,6,16,18-tétranitro-2,8,14,20-tétraoxapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène [French] [ACD/IUPAC Name]
2,8,14,20-Tetraoxapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene, 11,23-dimethyl-4,6,16,18-tetranitro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 765.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 298.5±34.9 °C
Index of Refraction: 1.671
Molar Refractivity: 140.6±0.3 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4415.90
ACD/KOC (pH 5.5): 14148.09
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4415.90
ACD/KOC (pH 7.4): 14148.09
Polar Surface Area: 220 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 376.2±3.0 cm3

Click to predict properties on the Chemicalize site


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