ChemSpider 2D Image | Ethyl N-cyclooctyl-beta-alaninate | C13H25NO2

Ethyl N-cyclooctyl-β-alaninate

  • Molecular FormulaC13H25NO2
  • Average mass227.343 Da
  • Monoisotopic mass227.188522 Da
  • ChemSpider ID24531612

More details:

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

Ethyl N-cyclooctyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-cyclooctyl-β-alaninat [German] [ACD/IUPAC Name]
N-Cyclooctyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-cyclooctyl-, ethyl ester [ACD/Index Name]
31540-38-2 [RN]
atoms 16 bonds 16
ethyl 3-(cyclooctylamino)propanoate
MFCD11651283

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 329.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±3.0 kJ/mol
    Flash Point: 153.0±23.2 °C
    Index of Refraction: 1.468
    Molar Refractivity: 65.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.56
    ACD/LogD (pH 5.5): 0.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.24
    ACD/LogD (pH 7.4): 1.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.13
    Polar Surface Area: 38 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 34.6±5.0 dyne/cm
    Molar Volume: 236.2±5.0 cm3

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