ChemSpider 2D Image | MFCD09866846 | C7H14O2

MFCD09866846

  • Molecular FormulaC7H14O2
  • Average mass130.185 Da
  • Monoisotopic mass130.099380 Da
  • ChemSpider ID24597394
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

4-(Hydroxymethyl)cyclohexanol [ACD/IUPAC Name]
Cyclohexanemethanol, 4-hydroxy-, trans- [ACD/Index Name]
MFCD09866846
trans-4-(Hydroxymethyl)cyclohexanol [ACD/IUPAC Name]
trans-4-(Hydroxymethyl)cyclohexanol [German] [ACD/IUPAC Name]
trans-4-(Hydroxyméthyl)cyclohexanol [French] [ACD/IUPAC Name]
(1r,4r)-4-(hydroxymethyl)cyclohexanol
[3685-27-6] [RN]
3685-27-6 [RN]
HB0
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.1±0.1 g/cm3
    Boiling Point: 262.0±8.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 58.0±6.0 kJ/mol
    Flash Point: 127.2±13.0 °C
    Index of Refraction: 1.493
    Molar Refractivity: 35.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.17
    ACD/LogD (pH 5.5): 0.49
    ACD/BCF (pH 5.5): 1.38
    ACD/KOC (pH 5.5): 43.80
    ACD/LogD (pH 7.4): 0.49
    ACD/BCF (pH 7.4): 1.38
    ACD/KOC (pH 7.4): 43.80
    Polar Surface Area: 40 Å2
    Polarizability: 14.1±0.5 10-24cm3
    Surface Tension: 40.6±3.0 dyne/cm
    Molar Volume: 122.0±3.0 cm3

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