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Search term: 128013-65-0 (Found by synonym)
ChemSpider 2D Image | Ethyl 5-methyl-3-(nitromethyl)hexanoate | C10H19NO4

Ethyl 5-methyl-3-(nitromethyl)hexanoate

  • Molecular FormulaC10H19NO4
  • Average mass217.262 Da
  • Monoisotopic mass217.131409 Da
  • ChemSpider ID21896821

More details:

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

5-Méthyl-3-(nitrométhyl)hexanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-methyl-3-(nitromethyl)hexanoate [ACD/IUPAC Name]
Ethyl-5-methyl-3-(nitromethyl)hexanoat [German] [ACD/IUPAC Name]
Hexanoic acid, 5-methyl-3-(nitromethyl)-, ethyl ester [ACD/Index Name]
128013-65-0 [RN]
18491-15-1 [RN]
5-Methyl-3-(nitromethyl)hexanoic Acid Ethyl Ester
5-Methyl-3-(nitromethyl)hexanoicAcidEthylEster

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 297.0±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.7±3.0 kJ/mol
    Flash Point: 112.6±24.6 °C
    Index of Refraction: 1.445
    Molar Refractivity: 56.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 37.42
    ACD/KOC (pH 5.5): 465.07
    ACD/LogD (pH 7.4): 2.33
    ACD/BCF (pH 7.4): 34.13
    ACD/KOC (pH 7.4): 424.13
    Polar Surface Area: 72 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 33.9±3.0 dyne/cm
    Molar Volume: 210.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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