ChemSpider 2D Image | Methyl 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-1-(2-methyl-3-biphenylyl)cyclopropanecarboxylate | C23H22ClF3O2

Methyl 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-1-(2-methyl-3-biphenylyl)cyclopropanecarboxylate

  • Molecular FormulaC23H22ClF3O2
  • Average mass422.868 Da
  • Monoisotopic mass422.126038 Da
  • ChemSpider ID60958623

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propén-1-yl]-2,2-diméthyl-1-(2-méthyl-3-biphénylyl)cyclopropanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-1-(2-methyl[1,1'-biphenyl]-3-yl)-, methyl ester [ACD/Index Name]
Methyl 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-1-(2-methyl-3-biphenylyl)cyclopropanecarboxylate [ACD/IUPAC Name]
Methyl-3-[(1Z)-2-chlor-3,3,3-trifluor-1-propen-1-yl]-2,2-dimethyl-1-(2-methyl-3-biphenylyl)cyclopropancarboxylat [German] [ACD/IUPAC 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: 455.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 138.1±17.9 °C
Index of Refraction: 1.559
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.94
ACD/BCF (pH 5.5): 110927.73
ACD/KOC (pH 5.5): 142173.36
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 110927.73
ACD/KOC (pH 7.4): 142173.36
Polar Surface Area: 26 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 336.9±3.0 cm3

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