ChemSpider 2D Image | 3-(~2~H_9_)Butyl-2-benzofuran-1(3H)-one | C12H5D9O2

3-(2H9)Butyl-2-benzofuran-1(3H)-one

  • Molecular FormulaC12H5D9O2
  • Average mass199.294 Da
  • Monoisotopic mass199.155869 Da
  • ChemSpider ID58779823

  • Non-standard isotope - Non-standard isotope

More details:

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

1(3H)-Isobenzofuranone, 3-(butyl-d9)- [ACD/Index Name]
3-(2H9)Butyl-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
3-(2H9)Butyl-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
3-(2H9)Butyl-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 312.8±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.4±3.0 kJ/mol
Flash Point: 128.3±22.2 °C
Index of Refraction: 1.525
Molar Refractivity: 54.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.97
ACD/KOC (pH 5.5): 986.64
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.97
ACD/KOC (pH 7.4): 986.64
Polar Surface Area: 26 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 176.7±3.0 cm3

Click to predict properties on the Chemicalize site


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