ChemSpider 2D Image | 7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one | C11H17NO

7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one

  • Molecular FormulaC11H17NO
  • Average mass179.259 Da
  • Monoisotopic mass179.131012 Da
  • ChemSpider ID35014856

More details:

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

7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one
7-Ethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]azepin-8(1H)-on [German] [ACD/IUPAC Name]
7-Ethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]azepin-8(1H)-one [ACD/IUPAC Name]
7-Éthyl-2,3,4,5,6,7-hexahydrocyclopenta[b]azépin-8(1H)-one [French] [ACD/IUPAC Name]
97826-68-1 [RN]
Cyclopent[b]azepin-8(1H)-one, 7-ethyl-2,3,4,5,6,7-hexahydro- [ACD/Index Name]
7-ethyl-1H,2H,3H,4H,5H,6H,7H,8H-cyclopenta[b]azepin-8-one
7-ethyl-1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]azepin-8-one
MFCD20678730

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 341.0±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 145.1±19.7 °C
Index of Refraction: 1.520
Molar Refractivity: 52.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 40.50
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.73
ACD/KOC (pH 7.4): 120.49
Polar Surface Area: 29 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 171.4±5.0 cm3

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