ChemSpider 2D Image | 3-(Phenylethynyl)benzonitrile | C15H9N

3-(Phenylethynyl)benzonitrile

  • Molecular FormulaC15H9N
  • Average mass203.239 Da
  • Monoisotopic mass203.073502 Da
  • ChemSpider ID14736240

More details:

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

3-(2-phenylethynyl)benzonitrile
3-(Phenylethinyl)benzonitril [German] [ACD/IUPAC Name]
3-(Phenylethynyl)benzonitrile [ACD/IUPAC Name]
3-(Phényléthynyl)benzonitrile [French] [ACD/IUPAC Name]
37696-03-0 [RN]
Benzonitrile, 3-(2-phenylethynyl)- [ACD/Index Name]
3-Phenylethynyl-benzonitrile
MFCD01319641

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

Density: 1.2±0.1 g/cm3
Boiling Point: 363.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 174.8±15.7 °C
Index of Refraction: 1.637
Molar Refractivity: 63.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 498.56
ACD/KOC (pH 5.5): 2969.15
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 498.56
ACD/KOC (pH 7.4): 2969.15
Polar Surface Area: 24 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 176.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement