ChemSpider 2D Image | 2-(1,1,1-~2~H_3_)Butanol | C4H7D3O

2-(1,1,1-2H3)Butanol

  • Molecular FormulaC4H7D3O
  • Average mass77.140 Da
  • Monoisotopic mass77.091995 Da
  • ChemSpider ID24532274

  • Non-standard isotope - Non-standard isotope

More details:

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

(±)-SEC-BUTYL-1,1,1-D3 ALCOHOL,98 ATOM
(1,1,1-2H3)Butan-2-ol
2-(1,1,1-2H3)Butanol [ACD/IUPAC Name]
2-(1,1,1-2H3)Butanol [German] [ACD/IUPAC Name]
2-(1,1,1-2H3)Butanol [French] [ACD/IUPAC Name]
2-Butan-1,1,1-d3-ol [ACD/Index Name]
53716-61-3 [RN]
(?)-sec-Butyl-1,1,1-d3 Alcohol
(±)-sec-Butyl-1,1,1-d3 Alcohol
1,1,1-trideuteriobutan-2-ol
More...

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

    Density: 0.8±0.1 g/cm3
    Boiling Point: 96.6±3.0 °C at 760 mmHg
    Vapour Pressure: 25.2±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 40.8±0.0 kJ/mol
    Flash Point: 26.7±0.0 °C
    Index of Refraction: 1.393
    Molar Refractivity: 22.1±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.69
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 2.11
    ACD/KOC (pH 5.5): 59.44
    ACD/LogD (pH 7.4): 0.73
    ACD/BCF (pH 7.4): 2.11
    ACD/KOC (pH 7.4): 59.44
    Polar Surface Area: 20 Å2
    Polarizability: 8.8±0.5 10-24cm3
    Surface Tension: 24.4±3.0 dyne/cm
    Molar Volume: 92.4±3.0 cm3

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