ChemSpider 2D Image | (1s,3s,5s)-1,3,5-Tris(bromomethyl)cyclohexane | C9H15Br3

(1s,3s,5s)-1,3,5-Tris(bromomethyl)cyclohexane

  • Molecular FormulaC9H15Br3
  • Average mass362.927 Da
  • Monoisotopic mass359.872375 Da
  • ChemSpider ID68009527

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1s,3s,5s)-1,3,5-Tris(brommethyl)cyclohexan [German] [ACD/IUPAC Name]
(1s,3s,5s)-1,3,5-Tris(bromomethyl)cyclohexane [ACD/IUPAC Name]
(1s,3s,5s)-1,3,5-Tris(bromométhyl)cyclohexane [French] [ACD/IUPAC Name]
Cyclohexane, 1,3,5-tris(bromomethyl)-, (1α,3α,5α)- [ACD/Index Name]
65672-58-4 [RN]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 351.2±7.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±3.0 kJ/mol
    Flash Point: 162.0±12.9 °C
    Index of Refraction: 1.533
    Molar Refractivity: 64.9±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.45
    ACD/LogD (pH 5.5): 4.66
    ACD/BCF (pH 5.5): 2065.56
    ACD/KOC (pH 5.5): 8212.97
    ACD/LogD (pH 7.4): 4.66
    ACD/BCF (pH 7.4): 2065.56
    ACD/KOC (pH 7.4): 8212.97
    Polar Surface Area: 0 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 41.1±3.0 dyne/cm
    Molar Volume: 209.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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