ChemSpider 2D Image | tert-Butyl N-octyl-beta-alaninate | C15H31NO2

tert-Butyl N-octyl-β-alaninate

  • Molecular FormulaC15H31NO2
  • Average mass257.412 Da
  • Monoisotopic mass257.235474 Da
  • ChemSpider ID24531572

More details:

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

2-Methyl-2-propanyl N-octyl-β-alaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-octyl-β-alaninat [German] [ACD/IUPAC Name]
N-Octyl-β-alaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl N-octyl-β-alaninate
β-Alanine, N-octyl-, 1,1-dimethylethyl ester [ACD/Index Name]
1221346-15-1 [RN]
atoms 18 bonds 17
MFCD14707408
tert-butyl 3-(octylamino)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: 332.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.5±3.0 kJ/mol
    Flash Point: 154.6±23.2 °C
    Index of Refraction: 1.446
    Molar Refractivity: 76.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 0
    ACD/LogP: 4.79
    ACD/LogD (pH 5.5): 1.67
    ACD/BCF (pH 5.5): 2.01
    ACD/KOC (pH 5.5): 7.69
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 12.21
    ACD/KOC (pH 7.4): 46.70
    Polar Surface Area: 38 Å2
    Polarizability: 30.5±0.5 10-24cm3
    Surface Tension: 30.3±3.0 dyne/cm
    Molar Volume: 288.5±3.0 cm3

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