ChemSpider 2D Image | 5-Methyl-3-(~2~H_3_)methyl(4,4-~2~H_2_)-1-hexyn-3-ol | C8H9D5O

5-Methyl-3-(2H3)methyl(4,4-2H2)-1-hexyn-3-ol

  • Molecular FormulaC8H9D5O
  • Average mass131.227 Da
  • Monoisotopic mass131.135849 Da
  • ChemSpider ID58784502

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Hexyn-4,4-d2-3-ol, 5-methyl-3-(methyl-d3)- [ACD/Index Name]
5-Methyl-3-(2H3)methyl(4,4-2H2)-1-hexin-3-ol [German] [ACD/IUPAC Name]
5-Methyl-3-(2H3)methyl(4,4-2H2)-1-hexyn-3-ol [ACD/IUPAC Name]
5-Méthyl-3-(2H3)méthyl(4,4-2H2)-1-hexyn-3-ol [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 152.6±8.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.6 mmHg at 25°C
Enthalpy of Vaporization: 45.4±6.0 kJ/mol
Flash Point: 44.4±0.0 °C
Index of Refraction: 1.452
Molar Refractivity: 38.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.95
ACD/KOC (pH 5.5): 193.08
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.95
ACD/KOC (pH 7.4): 193.08
Polar Surface Area: 20 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 142.3±3.0 cm3

Click to predict properties on the Chemicalize site


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