ChemSpider 2D Image | Ethyl trans-4-(hydroxymethyl)cyclohexanecarboxylate | C10H18O3

Ethyl trans-4-(hydroxymethyl)cyclohexanecarboxylate

  • Molecular FormulaC10H18O3
  • Average mass186.248 Da
  • Monoisotopic mass186.125595 Da
  • ChemSpider ID26232704

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

104802-52-0 [RN]
Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, ethyl ester, trans- [ACD/Index Name]
Ethyl trans-4-(hydroxymethyl)cyclohexanecarboxylate [ACD/IUPAC Name]
Ethyl-trans-4-(hydroxymethyl)cyclohexancarboxylat [German] [ACD/IUPAC Name]
trans-4-(Hydroxyméthyl)cyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
trans-Ethyl 4-(hydroxymethyl)cyclohexanecarboxylate
(1r,4r)-ethyl 4-(hydroxymethyl)cyclohexanecarboxylate
(1R,4R)-ETHYL4-(HYDROXYMETHYL)CYCLOHEXANECARBOXYLATE
[104802-52-0] [RN]
DS-15570
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 268.5±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 58.8±6.0 kJ/mol
    Flash Point: 106.3±12.6 °C
    Index of Refraction: 1.465
    Molar Refractivity: 49.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.25
    ACD/LogD (pH 5.5): 1.84
    ACD/BCF (pH 5.5): 14.78
    ACD/KOC (pH 5.5): 239.23
    ACD/LogD (pH 7.4): 1.84
    ACD/BCF (pH 7.4): 14.78
    ACD/KOC (pH 7.4): 239.23
    Polar Surface Area: 47 Å2
    Polarizability: 19.6±0.5 10-24cm3
    Surface Tension: 36.2±3.0 dyne/cm
    Molar Volume: 179.1±3.0 cm3

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