ChemSpider 2D Image | (2R)-2-Methyl(2,3-~2~H_2_)butanoic acid | C5H8D2O2

(2R)-2-Methyl(2,3-2H2)butanoic acid

  • Molecular FormulaC5H8D2O2
  • Average mass104.144 Da
  • Monoisotopic mass104.080635 Da
  • ChemSpider ID74050871
  • 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

(2R)-2-Methyl(2,3-2H2)butanoic acid [ACD/IUPAC Name]
(2R)-2-Methyl(2,3-2H2)butansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-méthyl(2,3-2H2)butanoïque [French] [ACD/IUPAC Name]
Butanoic-2,3-d2 acid, 2-methyl-, (2R)- [ACD/Index Name]

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

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: 73.9±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): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.12
ACD/LogD (pH 7.4): -1.40
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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