ChemSpider 2D Image | Ethyl (3S)-3-hydroxytetradecanoate | C16H32O3

Ethyl (3S)-3-hydroxytetradecanoate

  • Molecular FormulaC16H32O3
  • Average mass272.423 Da
  • Monoisotopic mass272.235138 Da
  • ChemSpider ID27472370

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxytétradécanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (3S)-3-hydroxytetradecanoate [ACD/IUPAC Name]
Ethyl-(3S)-3-hydroxytetradecanoat [German] [ACD/IUPAC Name]
Tetradecanoic acid, 3-hydroxy-, ethyl ester, (3S)- [ACD/Index Name]
(S)-Ethyl 3-hydroxytetradecanoate
151763-75-6 [RN]
214193-71-2 [RN]
DECANOIC ACID,3-HYDROXY-, ETHYL ESTER, (3S)-
Decanoic acid,3-hydroxy-,ethyl ester,(3S)-
ETHYL (R)-3-HYDROXY-TETRADECANOATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 0.9±0.1 g/cm3
    Boiling Point: 374.2±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 71.9±6.0 kJ/mol
    Flash Point: 142.5±13.2 °C
    Index of Refraction: 1.453
    Molar Refractivity: 79.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 1
    ACD/LogP: 5.29
    ACD/LogD (pH 5.5): 5.80
    ACD/BCF (pH 5.5): 14978.06
    ACD/KOC (pH 5.5): 33913.98
    ACD/LogD (pH 7.4): 5.80
    ACD/BCF (pH 7.4): 14978.06
    ACD/KOC (pH 7.4): 33913.98
    Polar Surface Area: 47 Å2
    Polarizability: 31.5±0.5 10-24cm3
    Surface Tension: 33.5±3.0 dyne/cm
    Molar Volume: 294.0±3.0 cm3

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