ChemSpider 2D Image | 3-(~2~H_3_)Methyl(3,4,4,4-~2~H_4_)butanal | C5H3D7O

3-(2H3)Methyl(3,4,4,4-2H4)butanal

  • Molecular FormulaC5H3D7O
  • Average mass93.175 Da
  • Monoisotopic mass93.117104 Da
  • ChemSpider ID48063270

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(2H3)Methyl(3,4,4,4-2H4)butanal [German] [ACD/IUPAC Name]
3-(2H3)Methyl(3,4,4,4-2H4)butanal [ACD/IUPAC Name]
3-(2H3)Méthyl(3,4,4,4-2H4)butanal [French] [ACD/IUPAC Name]
Butanal-3,4,4,4-d4, 3-(methyl-d3)- [ACD/Index Name]
1394230-51-3 [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: 93.5±8.0 °C at 760 mmHg
Vapour Pressure: 49.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.3±3.0 kJ/mol
Flash Point: -1.7±0.0 °C
Index of Refraction: 1.383
Molar Refractivity: 25.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.32
ACD/KOC (pH 5.5): 115.22
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.32
ACD/KOC (pH 7.4): 115.22
Polar Surface Area: 17 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 22.7±3.0 dyne/cm
Molar Volume: 108.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement