ChemSpider 2D Image | 4-[(3-Ethynylphenyl)ethynyl]-3-methylbenzonitrile | C18H11N

4-[(3-Ethynylphenyl)ethynyl]-3-methylbenzonitrile

  • Molecular FormulaC18H11N
  • Average mass241.287 Da
  • Monoisotopic mass241.089142 Da
  • ChemSpider ID92677095

More details:

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

4-[(3-Ethinylphenyl)ethinyl]-3-methylbenzonitril [German] [ACD/IUPAC Name]
4-[(3-Ethynylphenyl)ethynyl]-3-methylbenzonitrile [ACD/IUPAC Name]
4-[(3-Éthynylphényl)éthynyl]-3-méthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2-(3-ethynylphenyl)ethynyl]-3-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 435.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 219.0±21.2 °C
Index of Refraction: 1.636
Molar Refractivity: 75.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 932.82
ACD/KOC (pH 5.5): 4649.25
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 932.82
ACD/KOC (pH 7.4): 4649.25
Polar Surface Area: 24 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 209.2±5.0 cm3

Click to predict properties on the Chemicalize site


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