ChemSpider 2D Image | 1-sec-Butyl-2,5-dimethoxy-4-[(1E)-2-nitro-1-propen-1-yl]benzene | C15H21NO4

1-sec-Butyl-2,5-dimethoxy-4-[(1E)-2-nitro-1-propen-1-yl]benzene

  • Molecular FormulaC15H21NO4
  • Average mass279.332 Da
  • Monoisotopic mass279.147064 Da
  • ChemSpider ID35795073
  • Double-bond stereo - Double-bond stereo


More details:






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

1-sec-Butyl-2,5-dimethoxy-4-[(1E)-2-nitro-1-propen-1-yl]benzene [ACD/IUPAC Name]
1-sec-Butyl-2,5-diméthoxy-4-[(1E)-2-nitro-1-propén-1-yl]benzène [French] [ACD/IUPAC Name]
1-sec-Butyl-2,5-dimethoxy-4-[(1E)-2-nitro-1-propen-1-yl]benzol [German] [ACD/IUPAC Name]
Benzene, 1,4-dimethoxy-2-(1-methylpropyl)-5-[(1E)-2-nitro-1-propen-1-yl]- [ACD/Index Name]
BENZENE, 1,4-DIMETHOXY-2-(1-METHYLPROPYL)-5-(2-NITRO-1-PROPENYL)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 411.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 162.3±30.7 °C
Index of Refraction: 1.535
Molar Refractivity: 80.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 405.45
ACD/KOC (pH 5.5): 2560.75
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 405.45
ACD/KOC (pH 7.4): 2560.75
Polar Surface Area: 64 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 257.6±3.0 cm3

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