ChemSpider 2D Image | 3-Methyl-1-butyl-d11 Alcohol | C5HD11O

3-Methyl-1-butyl-d11 Alcohol

  • Molecular FormulaC5HD11O
  • Average mass99.216 Da
  • Monoisotopic mass99.157860 Da
  • ChemSpider ID24533465
  • Non-standard isotope - Non-standard isotope


More details:






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

170678-50-9 [RN]
1-Butan-1,1,2,2,3,4,4,4-d8-ol, 3-(methyl-d3)- [ACD/Index Name]
3-(2H3)Methyl(2H8)butan-1-ol
3-(2H3)Methyl-1-(2H8)butanol [German] [ACD/IUPAC Name]
3-(2H3)Methyl-1-(2H8)butanol [ACD/IUPAC Name]
3-(2H3)Méthyl-1-(2H8)butanol [French] [ACD/IUPAC Name]
3-Methyl-1-butyl-d11 Alcohol
iso-Amyl Alcohol
Isoamyl alcohol, 3-methyl-1-butanol, Isopentyl alcohol

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

Density: 0.8±0.1 g/cm3
Boiling Point: 131.2±0.0 °C at 760 mmHg
Vapour Pressure: 4.2±0.5 mmHg at 25°C
Enthalpy of Vaporization: 43.0±6.0 kJ/mol
Flash Point: 45.6±0.0 °C
Index of Refraction: 1.405
Molar Refractivity: 26.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 98.98
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.31
ACD/KOC (pH 7.4): 98.98
Polar Surface Area: 20 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 25.7±3.0 dyne/cm
Molar Volume: 109.0±3.0 cm3

Click to predict properties on the Chemicalize site






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