ChemSpider 2D Image | 1-(3-Nitrophenyl)(~2~H_3_)ethanone | C8H4D3NO3

1-(3-Nitrophenyl)(2H3)ethanone

  • Molecular FormulaC8H4D3NO3
  • Average mass168.165 Da
  • Monoisotopic mass168.061417 Da
  • ChemSpider ID111332509

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(3-Nitrophenyl)(2H3)ethanon [German] [ACD/IUPAC Name]
1-(3-Nitrophenyl)(2H3)ethanone [ACD/IUPAC Name]
1-(3-Nitrophényl)(2H3)éthanone [French] [ACD/IUPAC Name]
Ethanone-2,2,2-d3, 1-(3-nitrophenyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 237.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.4±3.0 kJ/mol
Flash Point: 99.9±12.6 °C
Index of Refraction: 1.558
Molar Refractivity: 42.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.20
ACD/KOC (pH 5.5): 157.00
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.20
ACD/KOC (pH 7.4): 157.00
Polar Surface Area: 63 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 132.8±3.0 cm3

Click to predict properties on the Chemicalize site


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