ChemSpider 2D Image | 2,2-Bis[(~2~H_3_)methyl](3,3,3-~2~H_3_)propanal | C5HD9O

2,2-Bis[(2H3)methyl](3,3,3-2H3)propanal

  • Molecular FormulaC5HD9O
  • Average mass95.188 Da
  • Monoisotopic mass95.129654 Da
  • ChemSpider ID62927403

  • Non-standard isotope - Non-standard isotope

More details:

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

2,2-Bis[(2H3)methyl](3,3,3-2H3)propanal [German] [ACD/IUPAC Name]
2,2-Bis[(2H3)methyl](3,3,3-2H3)propanal [ACD/IUPAC Name]
2,2-Bis[(2H3)méthyl](3,3,3-2H3)propanal [French] [ACD/IUPAC Name]
Propanal-3,3,3-d3, 2,2-di(methyl-d3)- [ACD/Index Name]
90137-14-7 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 77.5±0.0 °C at 760 mmHg
Vapour Pressure: 96.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.8±3.0 kJ/mol
Flash Point: -13.2±7.8 °C
Index of Refraction: 1.384
Molar Refractivity: 25.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.91
ACD/KOC (pH 5.5): 124.09
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.91
ACD/KOC (pH 7.4): 124.09
Polar Surface Area: 17 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 22.1±3.0 dyne/cm
Molar Volume: 108.4±3.0 cm3

Click to predict properties on the Chemicalize site


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