ChemSpider 2D Image | Methyl trans-4-hydroxycyclohexanecarboxylate | C8H14O3

Methyl trans-4-hydroxycyclohexanecarboxylate

  • Molecular FormulaC8H14O3
  • Average mass158.195 Da
  • Monoisotopic mass158.094299 Da
  • ChemSpider ID18712118

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6125-57-1 [RN]
Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester, trans- [ACD/Index Name]
Methyl trans-4-hydroxycyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-trans-4-hydroxycyclohexancarboxylat [German] [ACD/IUPAC Name]
trans-4-Hydroxycyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
[6125-57-1] [RN]
Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester, cis- [ACD/Index Name]
DS-7426
methyl (1r,4r)-4-hydroxycyclohexane-1-carboxylate
Methyl 4-hydroxycyclohexanecarboxylate [ACD/IUPAC Name]
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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: 1.1±0.1 g/cm3
    Boiling Point: 233.3±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 54.6±6.0 kJ/mol
    Flash Point: 93.5±18.2 °C
    Index of Refraction: 1.482
    Molar Refractivity: 40.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.53
    ACD/LogD (pH 5.5): 0.97
    ACD/BCF (pH 5.5): 3.21
    ACD/KOC (pH 5.5): 80.13
    ACD/LogD (pH 7.4): 0.97
    ACD/BCF (pH 7.4): 3.21
    ACD/KOC (pH 7.4): 80.13
    Polar Surface Area: 47 Å2
    Polarizability: 15.9±0.5 10-24cm3
    Surface Tension: 42.1±3.0 dyne/cm
    Molar Volume: 141.1±3.0 cm3

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