ChemSpider 2D Image | 3-Bromotetrahydro-2H-pyran | C5H9BrO

3-Bromotetrahydro-2H-pyran

  • Molecular FormulaC5H9BrO
  • Average mass165.028 Da
  • Monoisotopic mass163.983673 Da
  • ChemSpider ID14708318

More details:

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

13047-01-3 [RN]
2H-Pyran, 3-bromotetrahydro- [ACD/Index Name]
3-Bromotetrahydro-2H-pyran [ACD/IUPAC Name]
3-Bromotétrahydro-2H-pyrane [French] [ACD/IUPAC Name]
3-Bromtetrahydro-2H-pyran [German] [ACD/IUPAC Name]
[13047-01-3] [RN]
26274-19-1 [RN]
2H-Pyran,3-bromotetrahydro-
3-bromanyloxane
3-bromo-2H-3,4,5,6-tetrahydropyran
More...

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

CCRIS 4693 [DBID]
MFCD07371502 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 178.0±33.0 °C at 760 mmHg
    Vapour Pressure: 1.4±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 39.7±3.0 kJ/mol
    Flash Point: 69.2±26.5 °C
    Index of Refraction: 1.492
    Molar Refractivity: 32.5±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.04
    ACD/LogD (pH 5.5): 1.36
    ACD/BCF (pH 5.5): 6.34
    ACD/KOC (pH 5.5): 130.52
    ACD/LogD (pH 7.4): 1.36
    ACD/BCF (pH 7.4): 6.34
    ACD/KOC (pH 7.4): 130.52
    Polar Surface Area: 9 Å2
    Polarizability: 12.9±0.5 10-24cm3
    Surface Tension: 34.8±3.0 dyne/cm
    Molar Volume: 111.9±3.0 cm3

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