ChemSpider 2D Image | 1,2-(3,3,4,4,5,5,6,6,7,7,8,8,8-~2~H_13_)Octanediol | C8H5D13O2

1,2-(3,3,4,4,5,5,6,6,7,7,8,8,8-2H13)Octanediol

  • Molecular FormulaC8H5D13O2
  • Average mass159.307 Da
  • Monoisotopic mass159.212280 Da
  • ChemSpider ID58783976
  • Non-standard isotope - Non-standard isotope


More details:






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

1,2-(3,3,4,4,5,5,6,6,7,7,8,8,8-2H13)Octandiol [German] [ACD/IUPAC Name]
1,2-(3,3,4,4,5,5,6,6,7,7,8,8,8-2H13)Octanediol [ACD/IUPAC Name]
1,2-(3,3,4,4,5,5,6,6,7,7,8,8,8-2H13)Octanediol [French] [ACD/IUPAC Name]
1,2-Octane-3,3,4,4,5,5,6,6,7,7,8,8,8-d13-diol [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 243.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.8±6.0 kJ/mol
Flash Point: 109.1±13.0 °C
Index of Refraction: 1.453
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.81
ACD/KOC (pH 5.5): 203.78
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.81
ACD/KOC (pH 7.4): 203.78
Polar Surface Area: 40 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 156.0±3.0 cm3

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