ChemSpider 2D Image | 1-Benzyl 4-ethyl 5-oxo-1,4-azepanedicarboxylate | C17H21NO5

1-Benzyl 4-ethyl 5-oxo-1,4-azepanedicarboxylate

  • Molecular FormulaC17H21NO5
  • Average mass319.352 Da
  • Monoisotopic mass319.141968 Da
  • ChemSpider ID28536767

More details:

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

1-Benzyl 4-ethyl 5-oxo-1,4-azepanedicarboxylate [ACD/IUPAC Name]
1-Benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate
1-Benzyl-4-ethyl-5-oxo-1,4-azepandicarboxylat [German] [ACD/IUPAC Name]
1H-Azepine-1,4-dicarboxylic acid, hexahydro-5-oxo-, 4-ethyl 1-(phenylmethyl) ester [ACD/Index Name]
31696-09-0 [RN]
5-Oxo-1,4-azépanedicarboxylate de 1-benzyle et de 4-éthyle [French] [ACD/IUPAC Name]
[31696-09-0] [RN]
1-BENZYL-4-ETHYL-5-OXOAZEPANE-1,4-DICARBOXYLATE
5-oxo-azepane-1,4-dicarboxylic acid 1-benzyl ester 4-ethyl ester
C9MD00379G
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 459.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.0±3.0 kJ/mol
    Flash Point: 231.8±28.7 °C
    Index of Refraction: 1.536
    Molar Refractivity: 82.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): 2.33
    ACD/BCF (pH 5.5): 34.62
    ACD/KOC (pH 5.5): 439.97
    ACD/LogD (pH 7.4): 2.33
    ACD/BCF (pH 7.4): 34.61
    ACD/KOC (pH 7.4): 439.93
    Polar Surface Area: 73 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 48.0±3.0 dyne/cm
    Molar Volume: 264.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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