ChemSpider 2D Image | 2-(~2~H_3_)Methyl(3,3,3-~2~H_3_)propanoic acid | C4H2D6O2

2-(2H3)Methyl(3,3,3-2H3)propanoic acid

  • Molecular FormulaC4H2D6O2
  • Average mass94.142 Da
  • Monoisotopic mass94.090088 Da
  • ChemSpider ID24532756
  • Non-standard isotope - Non-standard isotope


More details:






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

2-(2H3)Methyl(3,3,3-2H3)propanoic acid [ACD/IUPAC Name]
2-(2H3)Methyl(3,3,3-2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-(2H3)méthyl(3,3,3-2H3)propanoïque [French] [ACD/IUPAC Name]
Propanoic-3,3,3-d3 acid, 2-(methyl-d3)- [ACD/Index Name]
29054-08-8 [RN]
2-Methyl-d3-propionic-3,3,3-d3 Acid
2-Methylpropanoic acid [ACD/IUPAC Name]
3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
Dimethylacetic acid
iso-Butyric Acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 155.2±8.0 °C at 760 mmHg
Vapour Pressure: 1.6±0.6 mmHg at 25°C
Enthalpy of Vaporization: 43.2±6.0 kJ/mol
Flash Point: 55.6±0.0 °C
Index of Refraction: 1.408
Molar Refractivity: 22.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.60
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 30.5±3.0 dyne/cm
Molar Volume: 89.6±3.0 cm3

Click to predict properties on the Chemicalize site






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