ChemSpider 2D Image | 1-Fluoro-4-phenyl-2,4-cyclohexadiene-1-carbonitrile | C13H10FN

1-Fluoro-4-phenyl-2,4-cyclohexadiene-1-carbonitrile

  • Molecular FormulaC13H10FN
  • Average mass199.224 Da
  • Monoisotopic mass199.079727 Da
  • ChemSpider ID24751343

More details:

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

1-Fluor-4-phenyl-2,4-cyclohexadien-1-carbonitril [German] [ACD/IUPAC Name]
1-Fluoro-4-phenyl-2,4-cyclohexadiene-1-carbonitrile [ACD/IUPAC Name]
1-Fluoro-4-phényl-2,4-cyclohexadiène-1-carbonitrile [French] [ACD/IUPAC Name]
2,4-Cyclohexadiene-1-carbonitrile, 1-fluoro-4-phenyl- [ACD/Index Name]
10540-31-5 [RN]
1-fluoro-4-phenylcyclohexa-2,4-dienecarbonitrile
4-fluoro-4-biphenylcarbonitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 327.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 141.3±31.6 °C
Index of Refraction: 1.573
Molar Refractivity: 56.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.57
ACD/KOC (pH 5.5): 783.92
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.57
ACD/KOC (pH 7.4): 783.92
Polar Surface Area: 24 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 172.2±5.0 cm3

Click to predict properties on the Chemicalize site


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