ChemSpider 2D Image | (2S)-2-Ethylhexyl 2-hydroxypropanoate | C11H22O3

(2S)-2-Ethylhexyl 2-hydroxypropanoate

  • Molecular FormulaC11H22O3
  • Average mass202.291 Da
  • Monoisotopic mass202.156891 Da
  • ChemSpider ID28599718

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-Ethylhexyl 2-hydroxypropanoate [ACD/IUPAC Name]
(2S)-2-Ethylhexyl-2-hydroxypropanoat [German] [ACD/IUPAC Name]
2-Hydroxypropanoate de (2S)-2-éthylhexyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-hydroxy-, (2S)-2-ethylhexyl ester [ACD/Index Name]
(S)-2-Ethylhexyl 2-hydroxypropanoate
[(2S)-2-ethylhexyl] 2-hydroxypropanoate
1565834-72-1 [RN]
186817-80-1 [RN]
2-Ethylhexyl Lactate
MFCD00800912 [MDL number]
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 243.0±8.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 55.8±6.0 kJ/mol
    Flash Point: 99.2±6.9 °C
    Index of Refraction: 1.444
    Molar Refractivity: 56.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): 3.06
    ACD/BCF (pH 5.5): 125.33
    ACD/KOC (pH 5.5): 1105.09
    ACD/LogD (pH 7.4): 3.06
    ACD/BCF (pH 7.4): 125.33
    ACD/KOC (pH 7.4): 1105.09
    Polar Surface Area: 47 Å2
    Polarizability: 22.3±0.5 10-24cm3
    Surface Tension: 32.5±3.0 dyne/cm
    Molar Volume: 211.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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