ChemSpider 2D Image | 1-(3-Fluoro-5-methylphenyl)cyclobutanecarbonitrile | C12H12FN

1-(3-Fluoro-5-methylphenyl)cyclobutanecarbonitrile

  • Molecular FormulaC12H12FN
  • Average mass189.229 Da
  • Monoisotopic mass189.095383 Da
  • ChemSpider ID45464493

More details:






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

1-(3-Fluor-5-methylphenyl)cyclobutancarbonitril [German] [ACD/IUPAC Name]
1-(3-Fluoro-5-methylphenyl)cyclobutanecarbonitrile [ACD/IUPAC Name]
1-(3-Fluoro-5-méthylphényl)cyclobutanecarbonitrile [French] [ACD/IUPAC Name]
Cyclobutanecarbonitrile, 1-(3-fluoro-5-methylphenyl)- [ACD/Index Name]
1-(3-fluoro-5-methylphenyl)cyclobutane-1-carbonitrile
1314744-19-8 [RN]
MFCD19697529

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 308.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 132.1±30.2 °C
Index of Refraction: 1.536
Molar Refractivity: 52.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 78.13
ACD/KOC (pH 5.5): 787.93
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.13
ACD/KOC (pH 7.4): 787.93
Polar Surface Area: 24 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 168.4±5.0 cm3

Click to predict properties on the Chemicalize site






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