ChemSpider 2D Image | Ethyl (2S)-2-acetylpentanoate | C9H16O3

Ethyl (2S)-2-acetylpentanoate

  • Molecular FormulaC9H16O3
  • Average mass172.221 Da
  • Monoisotopic mass172.109940 Da
  • ChemSpider ID98606709

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Acétylpentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (2S)-2-acetylpentanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-acetylpentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 2-acetyl-, ethyl ester, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 224.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.0±3.0 kJ/mol
Flash Point: 82.4±18.5 °C
Index of Refraction: 1.425
Molar Refractivity: 45.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.34
ACD/KOC (pH 5.5): 197.94
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.34
ACD/KOC (pH 7.4): 197.93
Polar Surface Area: 43 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 30.2±3.0 dyne/cm
Molar Volume: 178.1±3.0 cm3

Click to predict properties on the Chemicalize site


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