ChemSpider 2D Image | 4-Nitrooctane | C8H17NO2

4-Nitrooctane

  • Molecular FormulaC8H17NO2
  • Average mass159.226 Da
  • Monoisotopic mass159.125931 Da
  • ChemSpider ID21408819

More details:

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

4-Nitrooctan [German] [ACD/IUPAC Name]
4-Nitrooctane [ACD/IUPAC Name]
4-Nitrooctane [French] [ACD/IUPAC Name]
Octane, 4-nitro- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 208.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.5±3.0 kJ/mol
Flash Point: 71.8±7.2 °C
Index of Refraction: 1.432
Molar Refractivity: 45.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.26
ACD/KOC (pH 5.5): 880.33
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 83.69
ACD/KOC (pH 7.4): 807.31
Polar Surface Area: 46 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 29.9±3.0 dyne/cm
Molar Volume: 173.7±3.0 cm3

Click to predict properties on the Chemicalize site


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