ChemSpider 2D Image | 3-Methoxy-2,5-dinitro-6-(pentyloxy)benzaldehyde | C13H16N2O7

3-Methoxy-2,5-dinitro-6-(pentyloxy)benzaldehyde

  • Molecular FormulaC13H16N2O7
  • Average mass312.275 Da
  • Monoisotopic mass312.095764 Da
  • ChemSpider ID30776198

More details:






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

3-Methoxy-2,5-dinitro-6-(pentyloxy)benzaldehyd [German] [ACD/IUPAC Name]
3-Methoxy-2,5-dinitro-6-(pentyloxy)benzaldehyde [ACD/IUPAC Name]
3-Méthoxy-2,5-dinitro-6-(pentyloxy)benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-methoxy-2,5-dinitro-6-(pentyloxy)- [ACD/Index Name]
619314-93-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 500.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 219.7±32.1 °C
Index of Refraction: 1.567
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 428.65
ACD/KOC (pH 5.5): 2664.78
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 428.65
ACD/KOC (pH 7.4): 2664.78
Polar Surface Area: 127 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 238.8±3.0 cm3

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