ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,3R)-3-hydroxy(2,3-~2~H_2_)butanoate | C8H14D2O3

2-Methyl-2-propanyl (2S,3R)-3-hydroxy(2,3-2H2)butanoate

  • Molecular FormulaC8H14D2O3
  • Average mass162.223 Da
  • Monoisotopic mass162.122498 Da
  • ChemSpider ID17263866

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3R)-3-Hydroxy(2,3-2H2)butanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2S,3R)-3-hydroxy(2,3-2H2)butanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,3R)-3-hydroxy(2,3-2H2)butanoat [German] [ACD/IUPAC Name]
Butanoic-2,3-d2 acid, 3-hydroxy-, 1,1-dimethylethyl ester, (2S,3R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 228.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.0±6.0 kJ/mol
Flash Point: 87.3±12.6 °C
Index of Refraction: 1.436
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.64
ACD/KOC (pH 5.5): 87.79
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.64
ACD/KOC (pH 7.4): 87.79
Polar Surface Area: 47 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 162.0±3.0 cm3

Click to predict properties on the Chemicalize site


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