ChemSpider 2D Image | 1-(5,5,5-~2~H_3_)Pentanol | C5H9D3O

1-(5,5,5-2H3)Pentanol

  • Molecular FormulaC5H9D3O
  • Average mass91.167 Da
  • Monoisotopic mass91.107643 Da
  • ChemSpider ID24532835
  • Non-standard isotope - Non-standard isotope


More details:






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

(5,5,5-2H3)Pentan-1-ol
1-(5,5,5-2H3)Pentanol [German] [ACD/IUPAC Name]
1-(5,5,5-2H3)Pentanol [ACD/IUPAC Name]
1-(5,5,5-2H3)Pentanol [French] [ACD/IUPAC Name]
1-Pentan-5,5,5-d3-ol [ACD/Index Name]
64118-19-0 [RN]
n-Pentyl-5,5,5-d3 Alcohol
Amyl Alcohol
n-amyl alcohol
n-Butyl Carbinol

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

Density: 0.8±0.1 g/cm3
Boiling Point: 138.5±3.0 °C at 760 mmHg
Vapour Pressure: 2.8±0.5 mmHg at 25°C
Enthalpy of Vaporization: 43.8±6.0 kJ/mol
Flash Point: 48.9±0.0 °C
Index of Refraction: 1.407
Molar Refractivity: 26.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.62
ACD/KOC (pH 5.5): 175.89
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.62
ACD/KOC (pH 7.4): 175.89
Polar Surface Area: 20 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 108.6±3.0 cm3

Click to predict properties on the Chemicalize site






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