ChemSpider 2D Image | 2-Methyl-d3-3-butyn-1,1,1-d3-2-ol | C5H2D6O

2-Methyl-d3-3-butyn-1,1,1-d3-2-ol

  • Molecular FormulaC5H2D6O
  • Average mass90.153 Da
  • Monoisotopic mass90.095177 Da
  • ChemSpider ID24533127

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Methyl(1,1,1-2H3)-3-butin-2-ol [German] [ACD/IUPAC Name]
2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol [ACD/IUPAC Name]
2-(2H3)Méthyl(1,1,1-2H3)-3-butyn-2-ol [French] [ACD/IUPAC Name]
2-(2H3)Methyl(1,1,1-2H3)but-3-yn-2-ol
2-Methyl-d3-3-butyn-1,1,1-d3-2-ol
3-Butyn-1,1,1-d3-2-ol, 2-(methyl-d3)- [ACD/Index Name]
57444-27-6 [RN]
1,1-Dimethylpropargyl alcohol
Dimethylethynylcarbinol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 104.2±8.0 °C at 760 mmHg
Vapour Pressure: 17.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 40.0±6.0 kJ/mol
Flash Point: 25.0±0.0 °C
Index of Refraction: 1.444
Molar Refractivity: 24.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 44.65
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.42
ACD/KOC (pH 7.4): 44.65
Polar Surface Area: 20 Å2
Polarizability: 9.7±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 92.4±3.0 cm3

Click to predict properties on the Chemicalize site


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