ChemSpider 2D Image | Ethyl (2E)-[1-(iodoacetyl)-2-azepanylidene]acetate | C12H18INO3

Ethyl (2E)-[1-(iodoacetyl)-2-azepanylidene]acetate

  • Molecular FormulaC12H18INO3
  • Average mass351.181 Da
  • Monoisotopic mass351.033142 Da
  • ChemSpider ID68049283

More details:

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

(2E)-[1-(2-Iodoacétyl)-2-azépanylidène]acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[hexahydro-1-(2-iodoacetyl)-2H-azepin-2-ylidene]-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-[1-(iodoacetyl)-2-azepanylidene]acetate [ACD/IUPAC Name]
Ethyl-(2E)-[1-(iodacetyl)-2-azepanyliden]acetat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 424.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.5±28.7 °C
Index of Refraction: 1.604
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.00
ACD/KOC (pH 5.5): 698.29
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.00
ACD/KOC (pH 7.4): 698.29
Polar Surface Area: 47 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 219.0±3.0 cm3

Click to predict properties on the Chemicalize site


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