ChemSpider 2D Image | 1-(1,2,2-~2~H_3_)Hexanol | C6H11D3O

1-(1,2,2-2H3)Hexanol

  • Molecular FormulaC6H11D3O
  • Average mass105.193 Da
  • Monoisotopic mass105.123299 Da
  • ChemSpider ID74002627

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(1,2,2-2H3)Hexanol [German] [ACD/IUPAC Name]
1-(1,2,2-2H3)Hexanol [ACD/IUPAC Name]
1-(1,2,2-2H3)Hexanol [French] [ACD/IUPAC Name]
1-Hexan-1,2,2-d3-ol [ACD/Index 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: 158.2±3.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.5±0.0 kJ/mol
Flash Point: 60.0±0.0 °C
Index of Refraction: 1.416
Molar Refractivity: 31.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.85
ACD/KOC (pH 5.5): 262.76
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.85
ACD/KOC (pH 7.4): 262.76
Polar Surface Area: 20 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 27.9±3.0 dyne/cm
Molar Volume: 125.1±3.0 cm3

Click to predict properties on the Chemicalize site


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