ChemSpider 2D Image | 2-{[4-(2-Methyl-2-propanyl)cyclohexyl]oxy}-1,3,5-trinitrobenzene | C16H21N3O7

2-{[4-(2-Methyl-2-propanyl)cyclohexyl]oxy}-1,3,5-trinitrobenzene

  • Molecular FormulaC16H21N3O7
  • Average mass367.354 Da
  • Monoisotopic mass367.137939 Da
  • ChemSpider ID21107400

More details:

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

2-{[4-(2-Methyl-2-propanyl)cyclohexyl]oxy}-1,3,5-trinitrobenzene [ACD/IUPAC Name]
2-{[4-(2-Méthyl-2-propanyl)cyclohexyl]oxy}-1,3,5-trinitrobenzène [French] [ACD/IUPAC Name]
2-{[4-(2-Methyl-2-propanyl)cyclohexyl]oxy}-1,3,5-trinitrobenzol [German] [ACD/IUPAC Name]
Benzene, 2-[[4-(1,1-dimethylethyl)cyclohexyl]oxy]-1,3,5-trinitro- [ACD/Index Name]
2-[(4-tert-Butylcyclohexyl)oxy]-1,3,5-trinitrobenzene
21652-70-0 [RN]
Benzene, 2-[[cis-4-(1,1-dimethylethyl)cyclohexyl]oxy]-1,3,5-trinitro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 489.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 192.5±29.3 °C
Index of Refraction: 1.575
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3206.94
ACD/KOC (pH 5.5): 11252.64
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3206.94
ACD/KOC (pH 7.4): 11252.64
Polar Surface Area: 147 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 277.7±3.0 cm3

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