ChemSpider 2D Image | 7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one | C11H15NO

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

  • Molecular FormulaC11H15NO
  • Average mass177.243 Da
  • Monoisotopic mass177.115356 Da
  • ChemSpider ID35014850

More details:

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

7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one
7-Ethyl-2,3,6,7-tetrahydrocyclopenta[b]azepin-8(1H)-on [German] [ACD/IUPAC Name]
7-Ethyl-2,3,6,7-tetrahydrocyclopenta[b]azepin-8(1H)-one [ACD/IUPAC Name]
7-Éthyl-2,3,6,7-tétrahydrocyclopenta[b]azépin-8(1H)-one [French] [ACD/IUPAC Name]
97826-69-2 [RN]
Cyclopent[b]azepin-8(1H)-one, 7-ethyl-2,3,6,7-tetrahydro- [ACD/Index Name]
7-ethyl-1H,2H,3H,6H,7H,8H-cyclopenta[b]azepin-8-one
7-ethyl-1H,2H,3H,6H,7H-cyclopenta[b]azepin-8-one
MFCD20678827

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: 1.1±0.1 g/cm3
Boiling Point: 367.6±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 161.9±22.5 °C
Index of Refraction: 1.544
Molar Refractivity: 52.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.15
ACD/KOC (pH 5.5): 94.38
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.47
ACD/KOC (pH 7.4): 101.60
Polar Surface Area: 29 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 164.7±5.0 cm3

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