ChemSpider 2D Image | 3-Hydroxy-3-(~2~H_1_)methyl(~2~H_5_)butanoic acid | C5H4D6O3

3-Hydroxy-3-(2H1)methyl(2H5)butanoic acid

  • Molecular FormulaC5H4D6O3
  • Average mass124.168 Da
  • Monoisotopic mass124.100655 Da
  • ChemSpider ID67157275

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy-3-(2H1)methyl(2H5)butanoic acid [ACD/IUPAC Name]
3-Hydroxy-3-(2H1)methyl(2H5)butansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-3-(2H1)méthyl(2H5)butanoïque [French] [ACD/IUPAC Name]
Butanoic-2,2,4,4,4-d5 acid, 3-hydroxy-3-(methyl-d)- [ACD/Index Name]
d6-3-hydroxyisovaleric acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 242.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.8±6.0 kJ/mol
Flash Point: 114.9±19.1 °C
Index of Refraction: 1.460
Molar Refractivity: 28.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): -3.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 103.2±3.0 cm3

Click to predict properties on the Chemicalize site


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