ChemSpider 2D Image | 3-(~2~H)Formylbenzonitrile | C8H4DNO

3-(2H)Formylbenzonitrile

  • Molecular FormulaC8H4DNO
  • Average mass132.138 Da
  • Monoisotopic mass132.043396 Da
  • ChemSpider ID9237580

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(2H)Formylbenzonitril [German] [ACD/IUPAC Name]
3-(2H)Formylbenzonitrile [ACD/IUPAC Name]
3-(2H)Formylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-(formyl-d)- [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: 210.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.7±3.0 kJ/mol
Flash Point: 81.3±19.8 °C
Index of Refraction: 1.552
Molar Refractivity: 36.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.65
ACD/KOC (pH 5.5): 135.09
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.65
ACD/KOC (pH 7.4): 135.09
Polar Surface Area: 41 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 113.5±5.0 cm3

Click to predict properties on the Chemicalize site


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