ChemSpider 2D Image | Ethyl 5-bromo-5-hexenoate | C8H13BrO2

Ethyl 5-bromo-5-hexenoate

  • Molecular FormulaC8H13BrO2
  • Average mass221.092 Da
  • Monoisotopic mass220.009888 Da
  • ChemSpider ID21396164

More details:






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

485320-24-9 [RN]
5-Bromo-5-hexénoate d'éthyle [French] [ACD/IUPAC Name]
5-Hexenoic acid, 5-bromo-, ethyl ester [ACD/Index Name]
Ethyl 5-bromo-5-hexenoate [ACD/IUPAC Name]
Ethyl-5-brom-5-hexenoat [German] [ACD/IUPAC Name]
Ethyl 5-bromohex-5-enoate
Ethyl 5-bromohex-5-enoate 97%
ETHYL 5-BROMOHEX-5-ENOATE|ETHYL 5-BROMOHEX-5-ENOATE
MFCD00671848 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 230.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.8±3.0 kJ/mol
Flash Point: 93.5±25.4 °C
Index of Refraction: 1.472
Molar Refractivity: 48.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.37
ACD/KOC (pH 5.5): 796.87
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.37
ACD/KOC (pH 7.4): 796.87
Polar Surface Area: 26 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 172.1±3.0 cm3

Click to predict properties on the Chemicalize site






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