ChemSpider 2D Image | 2-Ethyl-4-nitrobenzonitrile | C9H8N2O2

2-Ethyl-4-nitrobenzonitrile

  • Molecular FormulaC9H8N2O2
  • Average mass176.172 Da
  • Monoisotopic mass176.058578 Da
  • ChemSpider ID28534720

More details:

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

2-Ethyl-4-nitrobenzonitril [German] [ACD/IUPAC Name]
2-Ethyl-4-nitrobenzonitrile [ACD/IUPAC Name]
2-Éthyl-4-nitrobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-ethyl-4-nitro- [ACD/Index Name]
[1312008-58-4] [RN]
1312008-58-4 [RN]
MFCD22493402

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

Density: 1.2±0.1 g/cm3
Boiling Point: 326.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 151.4±24.6 °C
Index of Refraction: 1.557
Molar Refractivity: 46.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.02
ACD/KOC (pH 5.5): 479.35
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.02
ACD/KOC (pH 7.4): 479.35
Polar Surface Area: 70 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 144.7±5.0 cm3

Click to predict properties on the Chemicalize site


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