ChemSpider 2D Image | tert-butyl 4-bromo-2H-azete-1-carboxylate | C8H12BrNO2

tert-butyl 4-bromo-2H-azete-1-carboxylate

  • Molecular FormulaC8H12BrNO2
  • Average mass234.090 Da
  • Monoisotopic mass233.005127 Da
  • ChemSpider ID72390409

More details:

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

1(2H)-Azetecarboxylic acid, 4-bromo-, 1,1-dimethylethyl ester [ACD/Index Name]
1537176-28-5 [RN]
2-Methyl-2-propanyl 4-bromo-1(2H)-azetecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-brom-1(2H)-azetcarboxylat [German] [ACD/IUPAC Name]
4-Bromo-1(2H)-azètecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-bromo-2H-azete-1-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 268.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 116.3±27.3 °C
Index of Refraction: 1.554
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.23
ACD/KOC (pH 5.5): 221.09
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.23
ACD/KOC (pH 7.4): 221.09
Polar Surface Area: 30 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 154.9±3.0 cm3

Click to predict properties on the Chemicalize site


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