ChemSpider 2D Image | Methyl (4S)-4-bromo-3-oxopentanoate | C6H9BrO3

Methyl (4S)-4-bromo-3-oxopentanoate

  • Molecular FormulaC6H9BrO3
  • Average mass209.038 Da
  • Monoisotopic mass207.973495 Da
  • ChemSpider ID32792747

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Bromo-3-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (4S)-4-bromo-3-oxopentanoate [ACD/IUPAC Name]
Methyl-(4S)-4-brom-3-oxopentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 4-bromo-3-oxo-, methyl ester, (4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 224.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.1±3.0 kJ/mol
Flash Point: 89.3±20.4 °C
Index of Refraction: 1.467
Molar Refractivity: 39.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.29
ACD/KOC (pH 5.5): 81.54
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.26
ACD/KOC (pH 7.4): 80.80
Polar Surface Area: 43 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 141.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement