ChemSpider 2D Image | 2-[3-(4-dimethylaminophenyl)prop-2-ynylidene]propanedinitrile | C14H11N3

2-[3-(4-dimethylaminophenyl)prop-2-ynylidene]propanedinitrile

  • Molecular FormulaC14H11N3
  • Average mass221.257 Da
  • Monoisotopic mass221.095291 Da
  • ChemSpider ID21150532

More details:

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

Density: 1.2±0.1 g/cm3
Boiling Point: 363.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.9±3.0 kJ/mol
Flash Point: 156.3±17.1 °C
Index of Refraction: 1.597
Molar Refractivity: 65.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.15
ACD/KOC (pH 5.5): 719.30
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.04
ACD/KOC (pH 7.4): 728.61
Polar Surface Area: 51 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 191.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement