ChemSpider 2D Image | [(2S)-2-Nitropropyl]benzene | C9H11NO2

[(2S)-2-Nitropropyl]benzene

  • Molecular FormulaC9H11NO2
  • Average mass165.189 Da
  • Monoisotopic mass165.078979 Da
  • ChemSpider ID74172142

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-2-Nitropropyl]benzene [ACD/IUPAC Name]
[(2S)-2-Nitropropyl]benzène [French] [ACD/IUPAC Name]
[(2S)-2-Nitropropyl]benzol [German] [ACD/IUPAC Name]
Benzene, [(2S)-2-nitropropyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 267.9±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 117.4±14.3 °C
Index of Refraction: 1.523
Molar Refractivity: 46.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.66
ACD/KOC (pH 5.5): 354.74
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 20.18
ACD/KOC (pH 7.4): 278.99
Polar Surface Area: 46 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 151.9±3.0 cm3

Click to predict properties on the Chemicalize site


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