ChemSpider 2D Image | Octyl (2Z)-2-cyano-3-(3-fluoro-2-iodophenyl)acrylate | C18H21FINO2

Octyl (2Z)-2-cyano-3-(3-fluoro-2-iodophenyl)acrylate

  • Molecular FormulaC18H21FINO2
  • Average mass429.268 Da
  • Monoisotopic mass429.060089 Da
  • ChemSpider ID102510998

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyano-3-(3-fluoro-2-iodophényl)acrylate d'octyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-cyano-3-(3-fluoro-2-iodophenyl)-, octyl ester, (2Z)- [ACD/Index Name]
Octyl (2Z)-2-cyano-3-(3-fluoro-2-iodophenyl)acrylate [ACD/IUPAC Name]
Octyl-(2Z)-2-cyan-3-(3-fluor-2-iodphenyl)acrylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 469.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.5±28.7 °C
Index of Refraction: 1.564
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 141584.36
ACD/KOC (pH 5.5): 169306.63
ACD/LogD (pH 7.4): 7.08
ACD/BCF (pH 7.4): 141584.36
ACD/KOC (pH 7.4): 169306.63
Polar Surface Area: 50 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 301.9±3.0 cm3

Click to predict properties on the Chemicalize site


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