ChemSpider 2D Image | Methyl 7-bromo-6-oxoheptanoate | C8H13BrO3

Methyl 7-bromo-6-oxoheptanoate

  • Molecular FormulaC8H13BrO3
  • Average mass237.091 Da
  • Monoisotopic mass236.004807 Da
  • ChemSpider ID62911773

More details:

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

273939-90-5 [RN]
7-Bromo-6-oxoheptanoate de méthyle [French] [ACD/IUPAC Name]
Heptanoic acid, 7-bromo-6-oxo-, methyl ester [ACD/Index Name]
Methyl 7-bromo-6-oxoheptanoate [ACD/IUPAC Name]
Methyl-7-brom-6-oxoheptanoat [German] [ACD/IUPAC Name]
MFCD27948548

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

Density: 1.4±0.1 g/cm3
Boiling Point: 293.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 131.1±21.8 °C
Index of Refraction: 1.470
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.45
ACD/KOC (pH 5.5): 117.16
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.45
ACD/KOC (pH 7.4): 117.16
Polar Surface Area: 43 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 174.4±3.0 cm3

Click to predict properties on the Chemicalize site


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