ChemSpider 2D Image | 2-[(2,2,2-~2~H_3_)Ethyl]-2-methylsuccinonitrile | C7H7D3N2

2-[(2,2,2-2H3)Ethyl]-2-methylsuccinonitrile

  • Molecular FormulaC7H7D3N2
  • Average mass125.186 Da
  • Monoisotopic mass125.103226 Da
  • ChemSpider ID48060104

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(2,2,2-2H3)Ethyl]-2-methylsuccinonitril [German] [ACD/IUPAC Name]
2-[(2,2,2-2H3)Ethyl]-2-methylsuccinonitrile [ACD/IUPAC Name]
2-[(2,2,2-2H3)Éthyl]-2-méthylsuccinonitrile [French] [ACD/IUPAC Name]
Butanedinitrile, 2-(ethyl-2,2,2-d3)-2-methyl- [ACD/Index Name]
1246817-05-9 [RN]
2-methyl-2-(2,2,2-trideuterioethyl)butanedinitrile

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

Density: 0.9±0.1 g/cm3
Boiling Point: 266.4±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.4±3.0 kJ/mol
Flash Point: 122.8±13.7 °C
Index of Refraction: 1.437
Molar Refractivity: 34.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 80.51
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 80.51
Polar Surface Area: 48 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 130.9±3.0 cm3

Click to predict properties on the Chemicalize site


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