ChemSpider 2D Image | 3,3-Bis[(~2~H_3_)methyl]-2-(~2~H_7_)butanol | C6HD13O

3,3-Bis[(2H3)methyl]-2-(2H7)butanol

  • Molecular FormulaC6HD13O
  • Average mass115.255 Da
  • Monoisotopic mass115.186066 Da
  • ChemSpider ID107438493

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Butan-1,1,1,2,4,4,4-d7-ol, 3,3-di(methyl-d3)- [ACD/Index Name]
3,3-Bis[(2H3)methyl]-2-(2H7)butanol [German] [ACD/IUPAC Name]
3,3-Bis[(2H3)methyl]-2-(2H7)butanol [ACD/IUPAC Name]
3,3-Bis[(2H3)méthyl]-2-(2H7)butanol [French] [ACD/IUPAC Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 117.8±8.0 °C at 760 mmHg
Vapour Pressure: 8.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.5±6.0 kJ/mol
Flash Point: 28.9±0.0 °C
Index of Refraction: 1.413
Molar Refractivity: 31.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.41
ACD/KOC (pH 5.5): 131.52
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.41
ACD/KOC (pH 7.4): 131.52
Polar Surface Area: 20 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 24.8±3.0 dyne/cm
Molar Volume: 125.5±3.0 cm3

Click to predict properties on the Chemicalize site


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