ChemSpider 2D Image | 3-Bromo-1-(4-hydroxy-2-methyl-2-butanyl)-2-pyrrolidinone | C9H16BrNO2

3-Bromo-1-(4-hydroxy-2-methyl-2-butanyl)-2-pyrrolidinone

  • Molecular FormulaC9H16BrNO2
  • Average mass250.133 Da
  • Monoisotopic mass249.036438 Da
  • ChemSpider ID42585887

More details:

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

2-Pyrrolidinone, 3-bromo-1-(3-hydroxy-1,1-dimethylpropyl)- [ACD/Index Name]
3-Brom-1-(4-hydroxy-2-methyl-2-butanyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
3-Bromo-1-(4-hydroxy-2-methyl-2-butanyl)-2-pyrrolidinone [ACD/IUPAC Name]
3-Bromo-1-(4-hydroxy-2-méthyl-2-butanyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
1601809-60-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 372.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.6±6.0 kJ/mol
Flash Point: 178.8±26.5 °C
Index of Refraction: 1.548
Molar Refractivity: 54.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 49.97
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 49.97
Polar Surface Area: 41 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 170.9±3.0 cm3

Click to predict properties on the Chemicalize site


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