ChemSpider 2D Image | (5,5,6,6-~2~H_4_)-2-Hexyn-1-ol | C6H6D4O

(5,5,6,6-2H4)-2-Hexyn-1-ol

  • Molecular FormulaC6H6D4O
  • Average mass102.168 Da
  • Monoisotopic mass102.098274 Da
  • ChemSpider ID74061394

  • Non-standard isotope - Non-standard isotope

More details:

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

(5,5,6,6-2H4)-2-Hexin-1-ol [German] [ACD/IUPAC Name]
(5,5,6,6-2H4)-2-Hexyn-1-ol [ACD/IUPAC Name]
(5,5,6,6-2H4)-2-Hexyn-1-ol [French] [ACD/IUPAC Name]
2-Hexyn-5,5,6,6-d4-1-ol [ACD/Index 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: 140.5±8.0 °C at 760 mmHg
Vapour Pressure: 2.5±0.5 mmHg at 25°C
Enthalpy of Vaporization: 44.0±6.0 kJ/mol
Flash Point: 48.6±11.4 °C
Index of Refraction: 1.455
Molar Refractivity: 29.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.21
ACD/KOC (pH 5.5): 97.36
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.21
ACD/KOC (pH 7.4): 97.36
Polar Surface Area: 20 Å2
Polarizability: 11.6±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 108.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement