ChemSpider 2D Image | (3E)-4-Methyl(5,5,5-~2~H_3_)-3-penten-2-one | C6H7D3O

(3E)-4-Methyl(5,5,5-2H3)-3-penten-2-one

  • Molecular FormulaC6H7D3O
  • Average mass101.161 Da
  • Monoisotopic mass101.091995 Da
  • ChemSpider ID74003156
  • Non-standard isotope - Non-standard isotope


More details:






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

(3E)-4-Methyl(5,5,5-2H3)-3-penten-2-on [German] [ACD/IUPAC Name]
(3E)-4-Methyl(5,5,5-2H3)-3-penten-2-one [ACD/IUPAC Name]
(3E)-4-Méthyl(5,5,5-2H3)-3-pentén-2-one [French] [ACD/IUPAC Name]
3-Penten-2-one-5,5,5-d3, 4-methyl-, (3E)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 132.7±9.0 °C at 760 mmHg
Vapour Pressure: 8.8±0.2 mmHg at 25°C
Enthalpy of Vaporization: 37.0±3.0 kJ/mol
Flash Point: 30.6±0.0 °C
Index of Refraction: 1.418
Molar Refractivity: 29.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.43
ACD/KOC (pH 5.5): 131.84
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.43
ACD/KOC (pH 7.4): 131.84
Polar Surface Area: 17 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 23.2±3.0 dyne/cm
Molar Volume: 118.1±3.0 cm3

Click to predict properties on the Chemicalize site






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