ChemSpider 2D Image | tert-Butyl N-cyclooctyl-beta-alaninate | C15H29NO2

tert-Butyl N-cyclooctyl-β-alaninate

  • Molecular FormulaC15H29NO2
  • Average mass255.396 Da
  • Monoisotopic mass255.219833 Da
  • ChemSpider ID24531613

More details:

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

2-Methyl-2-propanyl N-cyclooctyl-β-alaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-cyclooctyl-β-alaninat [German] [ACD/IUPAC Name]
N-Cyclooctyl-β-alaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl N-cyclooctyl-β-alaninate
β-Alanine, N-cyclooctyl-, 1,1-dimethylethyl ester [ACD/Index Name]
1221346-07-1 [RN]
atoms 18 bonds 18
MFCD14707426
tert-butyl 3-(cyclooctylamino)propanoate

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 350.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.5±3.0 kJ/mol
    Flash Point: 165.7±23.2 °C
    Index of Refraction: 1.469
    Molar Refractivity: 74.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.26
    ACD/LogD (pH 5.5): 1.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.05
    ACD/LogD (pH 7.4): 1.58
    ACD/BCF (pH 7.4): 2.13
    ACD/KOC (pH 7.4): 10.33
    Polar Surface Area: 38 Å2
    Polarizability: 29.7±0.5 10-24cm3
    Surface Tension: 33.9±5.0 dyne/cm
    Molar Volume: 269.2±5.0 cm3

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