ChemSpider 2D Image | MFCD01861603 | C10HD11O2

MFCD01861603

  • Molecular FormulaC10HD11O2
  • Average mass175.269 Da
  • Monoisotopic mass175.152771 Da
  • ChemSpider ID24532846

  • Non-standard isotope - Non-standard isotope

More details:

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

4-(2H5)Phenyl(2H6)butanoic acid [ACD/IUPAC Name]
4-(2H5)Phenyl(2H6)butansäure [German] [ACD/IUPAC Name]
4-Phenylbutyric-d11 Acid
Acide 4-(2H5)phényl(2H6)butanoïque [French] [ACD/IUPAC Name]
Benzene-2,3,4,5,6-d5-butanoic-d6 acid [ACD/Index Name]
MFCD01861603
1821-12-1 [RN]
2,2,3,3,4,4-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)butanoic acid
358730-86-6 [RN]
3-Benzylpropionic Acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00004403 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 290.7±9.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 56.0±3.0 kJ/mol
    Flash Point: 187.9±13.9 °C
    Index of Refraction: 1.535
    Molar Refractivity: 46.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.42
    ACD/LogD (pH 5.5): 1.48
    ACD/BCF (pH 5.5): 4.97
    ACD/KOC (pH 5.5): 64.34
    ACD/LogD (pH 7.4): -0.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.03
    Polar Surface Area: 37 Å2
    Polarizability: 18.5±0.5 10-24cm3
    Surface Tension: 43.6±3.0 dyne/cm
    Molar Volume: 149.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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