ChemSpider 2D Image | trans-4-(Hydroxymethyl)cyclohexanecarboxylic acid | C8H14O3

trans-4-(Hydroxymethyl)cyclohexanecarboxylic acid

  • Molecular FormulaC8H14O3
  • Average mass158.195 Da
  • Monoisotopic mass158.094299 Da
  • ChemSpider ID28185198

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-(hydroxyméthyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, trans- [ACD/Index Name]
MFCD10566907 [MDL number]
trans-4-(Hydroxymethyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-(Hydroxymethyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
(1r,4r)-4-(hydroxymethyl)cyclohexane-1-carboxylic acid
[66185-74-8] [RN]
66185-74-8 [RN]
98%
trans-4-(hydroxymethyl)cyclohexanecarboxylicacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 316.6±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 64.7±6.0 kJ/mol
    Flash Point: 159.5±16.9 °C
    Index of Refraction: 1.495
    Molar Refractivity: 40.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.26
    ACD/LogD (pH 5.5): 0.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.05
    ACD/LogD (pH 7.4): -1.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 15.9±0.5 10-24cm3
    Surface Tension: 45.2±3.0 dyne/cm
    Molar Volume: 137.3±3.0 cm3

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