ChemSpider 2D Image | MFCD00142885 | C4H5D3O

MFCD00142885

  • Molecular FormulaC4H5D3O
  • Average mass75.124 Da
  • Monoisotopic mass75.076347 Da
  • ChemSpider ID21170364
  • Non-standard isotope - Non-standard isotope


More details:






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

(4,4,4-2H3)Butan-2-one
2-(4,4,4-2H3)Butanon [German] [ACD/IUPAC Name]
2-(4,4,4-2H3)Butanone [ACD/IUPAC Name]
2-(4,4,4-2H3)Butanone [French] [ACD/IUPAC Name]
2-Butanone-4,4,4-d3 [ACD/Index Name]
2-Butanone-4,4,4-d3
53389-26-7 [RN]
Methyl-d3 ethyl ketone
MFCD00142885
"(4,4,4-²H?)BUTAN-2-ONE"
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

487600_ALDRICH [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 75.6±3.0 °C at 760 mmHg
Vapour Pressure: 114.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.3±0.0 kJ/mol
Flash Point: -3.3±0.0 °C
Index of Refraction: 1.367
Molar Refractivity: 20.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 39.65
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 39.65
Polar Surface Area: 17 Å2
Polarizability: 8.2±0.5 10-24cm3
Surface Tension: 21.0±3.0 dyne/cm
Molar Volume: 91.7±3.0 cm3

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