ChemSpider 2D Image | 3-sec-Butyl-1-methyl-1H-pyrazole-4-carbaldehyde | C9H14N2O

3-sec-Butyl-1-methyl-1H-pyrazole-4-carbaldehyde

  • Molecular FormulaC9H14N2O
  • Average mass166.220 Da
  • Monoisotopic mass166.110611 Da
  • ChemSpider ID21402868

More details:

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

1172893-08-1 [RN]
1H-Pyrazole-4-carboxaldehyde, 1-methyl-3-(1-methylpropyl)- [ACD/Index Name]
3-(sec-Butyl)-1-methyl-1H-pyrazole-4-carbaldehyde
3-sec-Butyl-1-methyl-1H-pyrazol-4-carbaldehyd [German] [ACD/IUPAC Name]
3-sec-Butyl-1-methyl-1H-pyrazole-4-carbaldehyde [ACD/IUPAC Name]
3-sec-Butyl-1-méthyl-1H-pyrazole-4-carbaldéhyde [French] [ACD/IUPAC Name]
1-methyl-3-(1-methylpropyl)-1H-Pyrazole-4-carboxaldehyde
1-METHYL-3-(SEC-BUTYL)PYRAZOLE-4-CARBALDEHYDE
3-(Butan-2-yl)-1-methyl-1H-pyrazole-4-carbaldehyde
3-butan-2-yl-1-methylpyrazole-4-carbaldehyde
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 274.1±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.3±3.0 kJ/mol
    Flash Point: 119.6±24.0 °C
    Index of Refraction: 1.526
    Molar Refractivity: 48.8±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): 1.66
    ACD/BCF (pH 5.5): 10.80
    ACD/KOC (pH 5.5): 191.07
    ACD/LogD (pH 7.4): 1.66
    ACD/BCF (pH 7.4): 10.80
    ACD/KOC (pH 7.4): 191.07
    Polar Surface Area: 35 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 34.0±7.0 dyne/cm
    Molar Volume: 159.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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