ChemSpider 2D Image | (2Z)-3-[3',5'-Bis(trifluoromethyl)-4-biphenylyl]-2-[4'-(trifluoromethyl)-4-biphenylyl]acrylonitrile | C30H16F9N

(2Z)-3-[3',5'-Bis(trifluoromethyl)-4-biphenylyl]-2-[4'-(trifluoromethyl)-4-biphenylyl]acrylonitrile

  • Molecular FormulaC30H16F9N
  • Average mass561.440 Da
  • Monoisotopic mass561.113892 Da
  • ChemSpider ID30660182

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-[3',5'-Bis(trifluormethyl)-4-biphenylyl]-2-[4'-(trifluormethyl)-4-biphenylyl]acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-[3',5'-Bis(trifluoromethyl)-4-biphenylyl]-2-[4'-(trifluoromethyl)-4-biphenylyl]acrylonitrile [ACD/IUPAC Name]
(2Z)-3-[3',5'-Bis(trifluorométhyl)-4-biphénylyl]-2-[4'-(trifluorométhyl)-4-biphénylyl]acrylonitrile [French] [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-acetonitrile, α-[[3',5'-bis(trifluoromethyl)[1,1'-biphenyl]-4-yl]methylene]-4'-(trifluoromethyl)-, (αZ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 543.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.4±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.19
ACD/LogD (pH 5.5): 9.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5346479.00
ACD/LogD (pH 7.4): 9.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5346479.00
Polar Surface Area: 24 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 417.0±3.0 cm3

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