ChemSpider 2D Image | 3-(~2~H_3_)Methyl(3,4,4,4-~2~H_4_)butanoic acid | C5H3D7O2

3-(2H3)Methyl(3,4,4,4-2H4)butanoic acid

  • Molecular FormulaC5H3D7O2
  • Average mass109.175 Da
  • Monoisotopic mass109.112015 Da
  • ChemSpider ID24533645

  • 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)butanoic acid [ACD/IUPAC Name]
3-(2H3)Methyl(3,4,4,4-2H4)butansäure [German] [ACD/IUPAC Name]
Acide 3-(2H3)méthyl(3,4,4,4-2H4)butanoïque [French] [ACD/IUPAC Name]
Butanoic-3,4,4,4-d4 acid, 3-(methyl-d3)- [ACD/Index Name]
1219805-32-9 [RN]
3-Methyl-d3-butyric-3,4,4,4-d4 Acid
Isovaleric Acid, 3-Methylbutanoic Acid, Isopentanoic Acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 175.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.7 mmHg at 25°C
Enthalpy of Vaporization: 45.4±6.0 kJ/mol
Flash Point: 70.6±0.0 °C
Index of Refraction: 1.418
Molar Refractivity: 26.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.46
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 106.1±3.0 cm3

Click to predict properties on the Chemicalize site


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