ChemSpider 2D Image | MFCD01074043 | C5HD9O2

MFCD01074043

  • Molecular FormulaC5HD9O2
  • Average mass111.187 Da
  • Monoisotopic mass111.124573 Da
  • ChemSpider ID24532723

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(2H3)Methyl(2H6)butanoic acid [ACD/IUPAC Name]
3-(2H3)Methyl(2H6)butansäure [German] [ACD/IUPAC Name]
344298-81-3 [RN]
3-METHYLBUTYRIC-D9 ACID
Acide 3-(2H3)méthyl(2H6)butanoïque [French] [ACD/IUPAC Name]
Butanoic-2,2,3,4,4,4-d6 acid, 3-(methyl-d3)- [ACD/Index Name]
Isovaleric-d9 acid
MFCD01074043
3-Methylbutyric Acid
Isovaleric acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-24132 [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: 175.3±8.0 °C at 760 mmHg
    Vapour Pressure: 0.6±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 45.4±6.0 kJ/mol
    Flash Point: 70.6±0.0 °C
    Index of Refraction: 1.418
    Molar Refractivity: 26.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): 0.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 16.46
    ACD/LogD (pH 7.4): -1.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 10.6±0.5 10-24cm3
    Surface Tension: 31.0±3.0 dyne/cm
    Molar Volume: 106.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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