ChemSpider 2D Image | Ethyl trans-4-hydroxycyclohexanecarboxylate | C9H16O3

Ethyl trans-4-hydroxycyclohexanecarboxylate

  • Molecular FormulaC9H16O3
  • Average mass172.221 Da
  • Monoisotopic mass172.109940 Da
  • ChemSpider ID24605825

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, trans- [ACD/Index Name]
Ethyl trans-4-hydroxycyclohexanecarboxylate [ACD/IUPAC Name]
Ethyl-trans-4-hydroxycyclohexancarboxylat [German] [ACD/IUPAC Name]
trans-4-Hydroxycyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
[3618-04-0] [RN]
150408-83-6 [RN]
3618-04-0 [RN]
4-Hydroxy-cyclohexanecarboxylic acid ethyl ester
DS-11436
ethyltrans-4-hydroxycyclohexanecarboxylate
More...

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

    Density: 1.1±0.0 g/cm3
    Boiling Point: 251.4±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 56.8±0.0 kJ/mol
    Flash Point: 100.2±0.0 °C
    Index of Refraction: 1.481
    Molar Refractivity: 44.8±0.0 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.06
    ACD/LogD (pH 5.5): 1.06
    ACD/BCF (pH 5.5): 3.78
    ACD/KOC (pH 5.5): 90.08
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 3.78
    ACD/KOC (pH 7.4): 90.08
    Polar Surface Area: 47 Å2
    Polarizability: 17.8±0.0 10-24cm3
    Surface Tension: 41.3±0.0 dyne/cm
    Molar Volume: 157.6±0.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement