ChemSpider 2D Image | Methyl 2-cyano-2-propylpentanoate | C10H17NO2

Methyl 2-cyano-2-propylpentanoate

  • Molecular FormulaC10H17NO2
  • Average mass183.247 Da
  • Monoisotopic mass183.125931 Da
  • ChemSpider ID23352130

More details:

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

2086219 [Beilstein]
2-Cyano-2-propylpentanoate de méthyle [French] [ACD/IUPAC Name]
2-Cyano-2-propylpentanoic acid methyl ester
66546-92-7 [RN]
Methyl 2-cyano-2-propylpentanoate [ACD/IUPAC Name]
Methyl-2-cyan-2-propylpentanoat [German] [ACD/IUPAC Name]
NCX3&3&VO1 [WLN]
Pentanoic acid, 2-cyano-2-propyl-, methyl ester [ACD/Index Name]
[66546-92-7] [RN]
2-Cyano-2-propyl-pentanoic acid methyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 225.3±8.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 46.2±3.0 kJ/mol
    Flash Point: 96.3±5.2 °C
    Index of Refraction: 1.438
    Molar Refractivity: 50.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.35
    ACD/LogD (pH 5.5): 3.39
    ACD/BCF (pH 5.5): 222.58
    ACD/KOC (pH 5.5): 1666.99
    ACD/LogD (pH 7.4): 3.39
    ACD/BCF (pH 7.4): 222.58
    ACD/KOC (pH 7.4): 1666.99
    Polar Surface Area: 50 Å2
    Polarizability: 19.8±0.5 10-24cm3
    Surface Tension: 33.4±3.0 dyne/cm
    Molar Volume: 190.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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