ChemSpider 2D Image | MFCD01073972 | C8H5D2N

MFCD01073972

  • Molecular FormulaC8H5D2N
  • Average mass119.160 Da
  • Monoisotopic mass119.070404 Da
  • ChemSpider ID24532842

  • Non-standard isotope - Non-standard isotope

More details:

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

935-66-0 [RN]
Benzeneacetonitrile-d2 [ACD/Index Name]
Benzyl cyanide-2,2-d2
Benzyl cyanide-α,α-d2
MFCD01073972
Phenyl(2H2)acetonitril [German] [ACD/IUPAC Name]
Phenyl(2H2)acetonitrile [ACD/IUPAC Name]
Phényl(2H2)acétonitrile [French] [ACD/IUPAC Name]
Phenylacetonitrile [ACD/IUPAC Name]
PHENYLACETONITRILE-2,2-D2
More...

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

NSC 118418 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 233.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 47.0±3.0 kJ/mol
Flash Point: 101.7±0.0 °C
Index of Refraction: 1.530
Molar Refractivity: 35.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.60
ACD/KOC (pH 5.5): 162.43
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.60
ACD/KOC (pH 7.4): 162.43
Polar Surface Area: 24 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 115.6±3.0 cm3

Click to predict properties on the Chemicalize site


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