ChemSpider 2D Image | 4-Methyl-2-(1,1,1-~2~H_3_)pentanol | C6H11D3O

4-Methyl-2-(1,1,1-2H3)pentanol

  • Molecular FormulaC6H11D3O
  • Average mass105.193 Da
  • Monoisotopic mass105.123299 Da
  • ChemSpider ID107439791

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Pentan-1,1,1-d3-ol, 4-methyl- [ACD/Index Name]
4-Methyl-2-(1,1,1-2H3)pentanol [German] [ACD/IUPAC Name]
4-Methyl-2-(1,1,1-2H3)pentanol [ACD/IUPAC Name]
4-Méthyl-2-(1,1,1-2H3)pentanol [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: 133.5±8.0 °C at 760 mmHg
Vapour Pressure: 3.7±0.5 mmHg at 25°C
Enthalpy of Vaporization: 43.2±6.0 kJ/mol
Flash Point: 41.1±0.0 °C
Index of Refraction: 1.412
Molar Refractivity: 31.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.82
ACD/KOC (pH 5.5): 178.61
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.82
ACD/KOC (pH 7.4): 178.61
Polar Surface Area: 20 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 25.4±3.0 dyne/cm
Molar Volume: 125.8±3.0 cm3

Click to predict properties on the Chemicalize site


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