ChemSpider 2D Image | 3-(Adamantan-1-yloxy)-1-propanol | C13H22O2

3-(Adamantan-1-yloxy)-1-propanol

  • Molecular FormulaC13H22O2
  • Average mass210.313 Da
  • Monoisotopic mass210.161987 Da
  • ChemSpider ID26457507

More details:

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

1-Propanol, 3-(tricyclo[3.3.1.13,7]dec-1-yloxy)- [ACD/Index Name]
3-(Adamantan-1-yloxy)-1-propanol [German] [ACD/IUPAC Name]
3-(Adamantan-1-yloxy)-1-propanol [ACD/IUPAC Name]
3-(Adamantan-1-yloxy)-1-propanol [French] [ACD/IUPAC Name]
1-propanol, 3-(tricyclo[3.3.1.13,7]dec-1-yloxy)
3-(1-adamantyloxy)propan-1-ol
359827-31-9 [RN]
MFCD19103274 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 312.4±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±6.0 kJ/mol
    Flash Point: 128.4±13.2 °C
    Index of Refraction: 1.527
    Molar Refractivity: 59.3±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.51
    ACD/LogD (pH 5.5): 2.72
    ACD/BCF (pH 5.5): 69.15
    ACD/KOC (pH 5.5): 721.98
    ACD/LogD (pH 7.4): 2.72
    ACD/BCF (pH 7.4): 69.15
    ACD/KOC (pH 7.4): 721.98
    Polar Surface Area: 29 Å2
    Polarizability: 23.5±0.5 10-24cm3
    Surface Tension: 41.5±5.0 dyne/cm
    Molar Volume: 193.0±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement