ChemSpider 2D Image | 3,3-Dimethyl-2-(1,1,1-~2~H_3_)butanol | C6H11D3O

3,3-Dimethyl-2-(1,1,1-2H3)butanol

  • Molecular FormulaC6H11D3O
  • Average mass105.193 Da
  • Monoisotopic mass105.123299 Da
  • ChemSpider ID73988181
  • Non-standard isotope - Non-standard isotope


More details:






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

2-Butan-1,1,1-d3-ol, 3,3-dimethyl- [ACD/Index Name]
3,3-Dimethyl-2-(1,1,1-2H3)butanol [German] [ACD/IUPAC Name]
3,3-Dimethyl-2-(1,1,1-2H3)butanol [ACD/IUPAC Name]
3,3-Diméthyl-2-(1,1,1-2H3)butanol [French] [ACD/IUPAC Name]
3,3-dimethyl-2-butanol-d3
55755-07-2 [RN]

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

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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