ChemSpider 2D Image | Diethyl (1R,2S)-1,2-cyclohexanedicarboxylate | C12H20O4

Diethyl (1R,2S)-1,2-cyclohexanedicarboxylate

  • Molecular FormulaC12H20O4
  • Average mass228.285 Da
  • Monoisotopic mass228.136154 Da
  • ChemSpider ID23552317

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-1,2-Cyclohexanedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
1,2-Cyclohexanedicarboxylic acid, diethyl ester, (1R,2S)- [ACD/Index Name]
1,2-diethyl (1R,2S)-cyclohexane-1,2-dicarboxylate
17351-07-4 [RN]
Diethyl (1R,2S)-1,2-cyclohexanedicarboxylate [ACD/IUPAC Name]
Diethyl-(1R,2S)-1,2-cyclohexandicarboxylat [German] [ACD/IUPAC Name]
(1R,2S)-Diethyl cyclohexane-1,2-dicarboxylate
(1S,2R)-Cyclohexane-1,2-dicarboxylic acid diethyl ester
[17351-07-4] [RN]
1,2-Cyclohexanedicarboxylicacid, 1,2-diethyl ester, (1R,2S)-rel-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 294.2±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.4±3.0 kJ/mol
    Flash Point: 137.8±18.8 °C
    Index of Refraction: 1.460
    Molar Refractivity: 58.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 2.68
    ACD/BCF (pH 5.5): 64.36
    ACD/KOC (pH 5.5): 685.84
    ACD/LogD (pH 7.4): 2.68
    ACD/BCF (pH 7.4): 64.36
    ACD/KOC (pH 7.4): 685.84
    Polar Surface Area: 53 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 36.6±3.0 dyne/cm
    Molar Volume: 214.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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