ChemSpider 2D Image | 3-(2-~2~H_1_)Pentanone | C5H9DO

3-(2-2H1)Pentanone

  • Molecular FormulaC5H9DO
  • Average mass87.138 Da
  • Monoisotopic mass87.079445 Da
  • ChemSpider ID66738667

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(2-2H1)Pentanon [German] [ACD/IUPAC Name]
3-(2-2H1)Pentanone [ACD/IUPAC Name]
3-(2-2H1)Pentanone [French] [ACD/IUPAC Name]
3-Pentanone-2-d [ACD/Index Name]
2-deutero-3-pentanone

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

Density: 0.8±0.1 g/cm3
Boiling Point: 101.0±3.0 °C at 760 mmHg
Vapour Pressure: 35.8±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.0±3.0 kJ/mol
Flash Point: 12.8±0.0 °C
Index of Refraction: 1.383
Molar Refractivity: 25.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 69.24
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 69.24
Polar Surface Area: 17 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 22.7±3.0 dyne/cm
Molar Volume: 108.2±3.0 cm3

Click to predict properties on the Chemicalize site


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