ChemSpider 2D Image | Ethyl (2S)-2-methyl-3-oxo-3-phenylpropanoate | C12H14O3

Ethyl (2S)-2-methyl-3-oxo-3-phenylpropanoate

  • Molecular FormulaC12H14O3
  • Average mass206.238 Da
  • Monoisotopic mass206.094299 Da
  • ChemSpider ID32787051

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Méthyl-3-oxo-3-phénylpropanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-methyl-β-oxo-, ethyl ester, (αS)- [ACD/Index Name]
Ethyl (2S)-2-methyl-3-oxo-3-phenylpropanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-methyl-3-oxo-3-phenylpropanoat [German] [ACD/IUPAC Name]
10488-87-6 [RN]
155189-52-9 [RN]
MFCD00026882 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 279.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 117.9±19.9 °C
Index of Refraction: 1.504
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.28
ACD/KOC (pH 5.5): 446.00
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.27
ACD/KOC (pH 7.4): 445.87
Polar Surface Area: 43 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 190.9±3.0 cm3

Click to predict properties on the Chemicalize site


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