ChemSpider 2D Image | 2-(~2~H_3_)Methylheptanal | C8H13D3O

2-(2H3)Methylheptanal

  • Molecular FormulaC8H13D3O
  • Average mass131.230 Da
  • Monoisotopic mass131.138947 Da
  • ChemSpider ID58782935

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Methylheptanal [German] [ACD/IUPAC Name]
2-(2H3)Methylheptanal [ACD/IUPAC Name]
2-(2H3)Méthylheptanal [French] [ACD/IUPAC Name]
Heptanal, 2-(methyl-d3)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 163.0±8.0 °C at 760 mmHg
Vapour Pressure: 2.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.0±3.0 kJ/mol
Flash Point: 46.2±5.4 °C
Index of Refraction: 1.410
Molar Refractivity: 39.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.36
ACD/KOC (pH 5.5): 976.00
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.36
ACD/KOC (pH 7.4): 976.00
Polar Surface Area: 17 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 25.8±3.0 dyne/cm
Molar Volume: 158.3±3.0 cm3

Click to predict properties on the Chemicalize site


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