ChemSpider 2D Image | 2-(1,1,1-~2~H_3_)Octanone | C8H13D3O

2-(1,1,1-2H3)Octanone

  • Molecular FormulaC8H13D3O
  • Average mass131.230 Da
  • Monoisotopic mass131.138947 Da
  • ChemSpider ID25933282
  • Non-standard isotope - Non-standard isotope


More details:






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

1,1,1-trideuterio-2-octanone
2-(1,1,1-2H3)Octanon [German] [ACD/IUPAC Name]
2-(1,1,1-2H3)Octanone [ACD/IUPAC Name]
2-(1,1,1-2H3)Octanone [French] [ACD/IUPAC Name]
2-Octanone-1,1,1-d3 [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 173.1±3.0 °C at 760 mmHg
Vapour Pressure: 1.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.3±3.0 kJ/mol
Flash Point: 62.8±0.0 °C
Index of Refraction: 1.411
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.57
ACD/KOC (pH 5.5): 552.40
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.57
ACD/KOC (pH 7.4): 552.40
Polar Surface Area: 17 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 25.8±3.0 dyne/cm
Molar Volume: 157.7±3.0 cm3

Click to predict properties on the Chemicalize site






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