ChemSpider 2D Image | (4-~2~H)Benzonitrile | C7H4DN

(4-2H)Benzonitrile

  • Molecular FormulaC7H4DN
  • Average mass104.128 Da
  • Monoisotopic mass104.048477 Da
  • ChemSpider ID74814400

  • Non-standard isotope - Non-standard isotope

More details:

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

(4-2H)Benzonitril [German] [ACD/IUPAC Name]
(4-2H)Benzonitrile [ACD/IUPAC Name]
(4-2H)Benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-4-d [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 191.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 42.7±3.0 kJ/mol
Flash Point: 71.7±0.0 °C
Index of Refraction: 1.539
Molar Refractivity: 31.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.99
ACD/KOC (pH 5.5): 140.00
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.99
ACD/KOC (pH 7.4): 140.00
Polar Surface Area: 24 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 100.0±5.0 cm3

Click to predict properties on the Chemicalize site


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