ChemSpider 2D Image | Methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate | C12H15ClO2

Methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate

  • Molecular FormulaC12H15ClO2
  • Average mass226.699 Da
  • Monoisotopic mass226.076050 Da
  • ChemSpider ID32787747

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Chlorophényl)-3-méthylbutanoate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-chloro-α-(1-methylethyl)-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate [ACD/IUPAC Name]
Methyl-(2S)-2-(4-chlorphenyl)-3-methylbutanoat [German] [ACD/IUPAC Name]
(S)-2-(4-Chloro-phenyl)-3-methyl-butyric acid methyl ester
(S)-methyl 2-(4-chlorophenyl)-3-methylbutanoate
[127641-48-9] [RN]
127641-48-9 [RN]
MFCD12913651

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 280.9±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.0±3.0 kJ/mol
    Flash Point: 127.9±15.8 °C
    Index of Refraction: 1.507
    Molar Refractivity: 61.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.79
    ACD/LogD (pH 5.5): 3.74
    ACD/BCF (pH 5.5): 408.32
    ACD/KOC (pH 5.5): 2573.72
    ACD/LogD (pH 7.4): 3.74
    ACD/BCF (pH 7.4): 408.32
    ACD/KOC (pH 7.4): 2573.72
    Polar Surface Area: 26 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 35.4±3.0 dyne/cm
    Molar Volume: 204.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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