ChemSpider 2D Image | 1,2-(3,3,4,4,5,5,5-~2~H_7_)Pentanediol | C5H5D7O2

1,2-(3,3,4,4,5,5,5-2H7)Pentanediol

  • Molecular FormulaC5H5D7O2
  • Average mass111.191 Da
  • Monoisotopic mass111.127670 Da
  • ChemSpider ID107437251

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-(3,3,4,4,5,5,5-2H7)Pentandiol [German] [ACD/IUPAC Name]
1,2-(3,3,4,4,5,5,5-2H7)Pentanediol [ACD/IUPAC Name]
1,2-(3,3,4,4,5,5,5-2H7)Pentanediol [French] [ACD/IUPAC Name]
1,2-Pentane-3,3,4,4,5,5,5-d7-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: 206.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 51.4±6.0 kJ/mol
Flash Point: 104.4±0.0 °C
Index of Refraction: 1.443
Molar Refractivity: 28.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.69
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.69
Polar Surface Area: 40 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 106.5±3.0 cm3

Click to predict properties on the Chemicalize site


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