ChemSpider 2D Image | 1,2-(6,6,6-~2~H_3_)Hexanediol | C6H11D3O2

1,2-(6,6,6-2H3)Hexanediol

  • Molecular FormulaC6H11D3O2
  • Average mass121.193 Da
  • Monoisotopic mass121.118210 Da
  • ChemSpider ID58783959

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-(6,6,6-2H3)Hexandiol [German] [ACD/IUPAC Name]
1,2-(6,6,6-2H3)Hexanediol [ACD/IUPAC Name]
1,2-(6,6,6-2H3)Hexanediol [French] [ACD/IUPAC Name]
1,2-Hexane-6,6,6-d3-diol [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 223.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 53.5±6.0 kJ/mol
Flash Point: 95.8±13.0 °C
Index of Refraction: 1.447
Molar Refractivity: 32.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.28
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.28
Polar Surface Area: 40 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 123.0±3.0 cm3

Click to predict properties on the Chemicalize site


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