ChemSpider 2D Image | 4-(~2~H_3_)Methyl(4,5,5,5-~2~H_4_)pentanal | C6H5D7O

4-(2H3)Methyl(4,5,5,5-2H4)pentanal

  • Molecular FormulaC6H5D7O
  • Average mass107.202 Da
  • Monoisotopic mass107.132751 Da
  • ChemSpider ID48062026

  • Non-standard isotope - Non-standard isotope

More details:

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

4-(2H3)Methyl(4,5,5,5-2H4)pentanal [German] [ACD/IUPAC Name]
4-(2H3)Methyl(4,5,5,5-2H4)pentanal [ACD/IUPAC Name]
4-(2H3)Méthyl(4,5,5,5-2H4)pentanal [French] [ACD/IUPAC Name]
Pentanal-4,5,5,5-d4, 4-(methyl-d3)- [ACD/Index Name]
1794978-55-4 [RN]
4,5,5,5-tetradeuterio-4-(trideuteriomethyl)pentanal

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

Density: 0.8±0.1 g/cm3
Boiling Point: 118.1±8.0 °C at 760 mmHg
Vapour Pressure: 16.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.6±3.0 kJ/mol
Flash Point: 17.8±5.4 °C
Index of Refraction: 1.394
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.46
ACD/KOC (pH 5.5): 173.86
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.46
ACD/KOC (pH 7.4): 173.86
Polar Surface Area: 17 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 24.0±3.0 dyne/cm
Molar Volume: 125.3±3.0 cm3

Click to predict properties on the Chemicalize site


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