ChemSpider 2D Image | 1-(4-Bromobutanoyl)-3-pyrrolidinone | C8H12BrNO2

1-(4-Bromobutanoyl)-3-pyrrolidinone

  • Molecular FormulaC8H12BrNO2
  • Average mass234.090 Da
  • Monoisotopic mass233.005127 Da
  • ChemSpider ID30774007

More details:






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

1-(4-Brombutanoyl)-3-pyrrolidinon [German] [ACD/IUPAC Name]
1-(4-Bromobutanoyl)-3-pyrrolidinone [ACD/IUPAC Name]
1-(4-Bromobutanoyl)-3-pyrrolidinone [French] [ACD/IUPAC Name]
3-Pyrrolidinone, 1-(4-bromo-1-oxobutyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 338.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 158.5±25.1 °C
Index of Refraction: 1.542
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 36.21
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 36.21
Polar Surface Area: 37 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 153.7±3.0 cm3

Click to predict properties on the Chemicalize site






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