ChemSpider 2D Image | 3-Methyl(~2~H_6_)butan(~2~H)oic acid | C5H3D7O2

3-Methyl(2H6)butan(2H)oic acid

  • Molecular FormulaC5H3D7O2
  • Average mass109.175 Da
  • Monoisotopic mass109.112015 Da
  • ChemSpider ID67155531

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Methyl(2H6)butan(2H)oic acid [ACD/IUPAC Name]
3-Methyl(2H6)butan(2H)säure [German] [ACD/IUPAC Name]
Acide 3-méthyl(2H6)butan(2H)oïque [French] [ACD/IUPAC Name]
Butanoic-2,2,3,4,4,4-d6 acid-d, 3-methyl- [ACD/Index Name]
d7-3-methylbutanoic 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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