ChemSpider 2D Image | (E)-3-(2,4,5,6-tetradeuterio-3-pyridyl)prop-2-enenitrile | C8H2D4N2

(E)-3-(2,4,5,6-tetradeuterio-3-pyridyl)prop-2-enenitrile

  • Molecular FormulaC8H2D4N2
  • Average mass134.171 Da
  • Monoisotopic mass134.078201 Da
  • ChemSpider ID8995872

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-3-[(2H4)-3-Pyridinyl]acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-[(2H4)-3-Pyridinyl]acrylonitrile [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 273.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.2±3.0 kJ/mol
Flash Point: 103.1±5.6 °C
Index of Refraction: 1.602
Molar Refractivity: 40.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 123.77
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.04
ACD/KOC (pH 7.4): 126.02
Polar Surface Area: 37 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 117.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement