ChemSpider 2D Image | 3-(3,4-Dimethylphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acrylonitrile | C17H13F3N2

3-(3,4-Dimethylphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acrylonitrile

  • Molecular FormulaC17H13F3N2
  • Average mass302.294 Da
  • Monoisotopic mass302.103088 Da
  • ChemSpider ID30503593

More details:

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

2-Pyridineacetonitrile, α-[(3,4-dimethylphenyl)methylene]-5-(trifluoromethyl)- [ACD/Index Name]
3-(3,4-Dimethylphenyl)-2-[5-(trifluormethyl)-2-pyridinyl]acrylonitril [German] [ACD/IUPAC Name]
3-(3,4-Dimethylphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acrylonitrile [ACD/IUPAC Name]
3-(3,4-Diméthylphényl)-2-[5-(trifluorométhyl)-2-pyridinyl]acrylonitrile [French] [ACD/IUPAC 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: 382.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.1±27.9 °C
Index of Refraction: 1.562
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4747.84
ACD/KOC (pH 5.5): 14901.46
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4747.84
ACD/KOC (pH 7.4): 14901.46
Polar Surface Area: 37 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 245.2±3.0 cm3

Click to predict properties on the Chemicalize site


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