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

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

  • Molecular FormulaC18H21FINO2
  • Average mass429.268 Da
  • Monoisotopic mass429.060089 Da
  • ChemSpider ID102510988

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyano-3-(2-fluoro-3-iodophényl)acrylate d'octyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-cyano-3-(2-fluoro-3-iodophenyl)-, octyl ester, (2Z)- [ACD/Index Name]
Octyl (2Z)-2-cyano-3-(2-fluoro-3-iodophenyl)acrylate [ACD/IUPAC Name]
Octyl-(2Z)-2-cyan-3-(2-fluor-3-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: 475.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.2±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: 6.55
ACD/LogD (pH 5.5): 7.06
ACD/BCF (pH 5.5): 137512.72
ACD/KOC (pH 5.5): 165807.27
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 137512.72
ACD/KOC (pH 7.4): 165807.27
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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