ChemSpider 2D Image | 3,5-Cycloheptadien-1-yl 3,5-dinitrobenzoate | C14H12N2O6

3,5-Cycloheptadien-1-yl 3,5-dinitrobenzoate

  • Molecular FormulaC14H12N2O6
  • Average mass304.255 Da
  • Monoisotopic mass304.069550 Da
  • ChemSpider ID21138783

More details:

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

3,5-Cycloheptadien-1-ol, 3,5-dinitrobenzoate [ACD/Index Name]
3,5-Cycloheptadien-1-yl 3,5-dinitrobenzoate [ACD/IUPAC Name]
3,5-Cycloheptadien-1-yl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
3,5-Dinitrobenzoate de 3,5-cycloheptadién-1-yle [French] [ACD/IUPAC 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: 459.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 200.5±30.7 °C
Index of Refraction: 1.615
Molar Refractivity: 75.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.70
ACD/KOC (pH 5.5): 1188.25
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.70
ACD/KOC (pH 7.4): 1188.25
Polar Surface Area: 118 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 216.2±5.0 cm3

Click to predict properties on the Chemicalize site


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